Geometry & MOs

Info

ID:	281072
PubChem CID:	103852764
Reduced:	BrNOC15H20 (1)
Stoich.:	ABCD15E20 (1)
Weight, g/mol:	347.05209
ΔH_f, kcal/mol:	-57.16
Dipole, Da:	4.26
IP(EA), eV:	-9.38(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)C2=CC=CC(=C2Br)C

DOS

IR

Vibrations