Geometry & MOs

Info

ID:	68571
PubChem CID:	46508666
Reduced:	N3O4C27H29 (1)
Stoich.:	A3B4C27D29 (1)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	3.08
IP(EA), eV:	-8.67(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3C(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations