Geometry & MOs

Info

ID:	190459
PubChem CID:	78008294
Reduced:	ClON2H31C33 (1)
Stoich.:	ABC2D31E33 (1)
Weight, g/mol:	544.213776
ΔH_f, kcal/mol:	24.59
Dipole, Da:	6.45
IP(EA), eV:	-8.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C(C)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=C(C=C4)C5=CC=CC=C5

DOS

IR

Vibrations