Geometry & MOs

Info

ID:

326774

PubChem CID:

126688184

Reduced:

F3O3N5C36H40 (1)

Stoich.:

A3B3C5D36E40 (1)

Weight, g/mol:

543.224595

ΔHf, kcal/mol:

-199.18

Dipole, Da:

8.14

IP(EA), eV:

 -9.04(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[(cyclopropylmethylamino)-(2,4-dimethylphenyl)methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)OC(C)(C)C)C(F)(F)F)NCC5CC5)C

DOS

IR

Vibrations