Geometry & MOs

Info

ID:	327115
PubChem CID:	126689028
Reduced:	OF3N6C27H27 (1)
Stoich.:	AB3C6D27E27 (1)
Weight, g/mol:	591.224595
ΔH_f, kcal/mol:	-60.33
Dipole, Da:	6.04
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=CNC=C5

DOS

IR

Vibrations