Geometry & MOs

Info

ID:	281066
PubChem CID:	103852711
Reduced:	BrNOC18H20 (1)
Stoich.:	ABCD18E20 (1)
Weight, g/mol:	333.03644
ΔH_f, kcal/mol:	-22.61
Dipole, Da:	4.4
IP(EA), eV:	-9.09(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC(C)CCC2=CC=CC=C2)Br

DOS

IR

Vibrations