Geometry & MOs

Info

ID:

321319

PubChem CID:

126665799

Reduced:

F4O4N6C35H36 (1)

Stoich.:

A4B4C6D35E36 (1)

Weight, g/mol:

649.185623

ΔHf, kcal/mol:

-264.33

Dipole, Da:

7.56

IP(EA), eV:

 -9.46(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(10-chloroanthracen-9-yl)-(cyclopropylmethylamino)methyl]phenyl]-2-(3-cyanophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(C4=CC=C(C=C4)C(=O)N)NCC5CC5)F

DOS

IR

Vibrations