Geometry & MOs

Info

ID:	123047
PubChem CID:	50831435
Reduced:	ClO3N4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	466.149571
ΔH_f, kcal/mol:	-39.59
Dipole, Da:	9.99
IP(EA), eV:	-8.91(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-4-[2-[2-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=NO2)C3CCN(CC3)C(=O)C4CC(=O)N(C4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations