Geometry & MOs

Info

ID:	252324
PubChem CID:	103110561
Reduced:	BrSN2O2C12H17 (1)
Stoich.:	ABC2D2E12F17 (1)
Weight, g/mol:	348.01095
ΔH_f, kcal/mol:	-70.8
Dipole, Da:	2.54
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2-methyl-3-nitrophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C1=CC(=C(S1)Br)C

DOS

IR

Vibrations