Geometry & MOs

Info

ID:	39238
PubChem CID:	8139964
Reduced:	BrO2N3C19H23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	403.08954
ΔH_f, kcal/mol:	-19.18
Dipole, Da:	2.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002024
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CNC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations