Geometry & MOs

Info

ID:	38452
PubChem CID:	8085909
Reduced:	O3N5C22H33 (1)
Stoich.:	A3B5C22D33 (1)
Weight, g/mol:	399.231063
ΔH_f, kcal/mol:	-110.87
Dipole, Da:	6.54
IP(EA), eV:	-8.88(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenylethyl)benzamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N1CC2=C(C1=O)N(C3=CC(=NN3C2=O)C(C)(C)C)CC(=O)NCC(C)C

DOS

IR

Vibrations