Geometry & MOs

Info

ID:	200904
PubChem CID:	79460390
Reduced:	ClNC15H20 (1)
Stoich.:	ABC15D20 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	8.94
Dipole, Da:	2.58
IP(EA), eV:	-9.13(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC2(CNC2)C3=CC=CC=C3Cl

DOS

IR

Vibrations