Geometry & MOs

Info

ID:	321244
PubChem CID:	126665585
Reduced:	OF4N6C30H30 (1)
Stoich.:	AB4C6D30E30 (1)
Weight, g/mol:	503.193295
ΔH_f, kcal/mol:	-119.69
Dipole, Da:	4.2
IP(EA), eV:	-9.39(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenyl)-N-[3-[3-cyclopropyl-1-(1H-pyrrol-3-yl)propyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C(CCC2CC2)(C3=CC(=C(C=C3)F)NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F)N

DOS

IR

Vibrations