Geometry & MOs

Info

ID:	61222
PubChem CID:	26707223
Reduced:	ClO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	468.04515
ΔH_f, kcal/mol:	1.67
Dipole, Da:	3.32
IP(EA), eV:	-9.32(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)/C=C/C2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations