Geometry & MOs

Info

ID:	321317
PubChem CID:	126665797
Reduced:	FN2O3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	649.185623
ΔH_f, kcal/mol:	-138.99
Dipole, Da:	5.04
IP(EA), eV:	-9.02(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)NC1=C(C=CC(=C1)C(CCC2CC2)N3C=CCCC3=O)F

DOS

IR

Vibrations