Geometry & MOs

Info

ID:	68562
PubChem CID:	46508651
Reduced:	BrO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-3.41
Dipole, Da:	3.29
IP(EA), eV:	-9.34(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-methylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)NC(=O)C(C)N(C)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations