Geometry & MOs

Info

ID:	162514
PubChem CID:	57394912
Reduced:	ON7H13C18 (1)
Stoich.:	AB7C13D18 (1)
Weight, g/mol:	467.257277
ΔH_f, kcal/mol:	160.0
Dipole, Da:	4.42
IP(EA), eV:	-9.53(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylphenyl]-3-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=C2C=CNC(=O)C2=C1)CC3=NN=C4N3NC(=C5C=NN=C5)C=C4

DOS

IR

Vibrations