Geometry & MOs

Info

ID:	287877
PubChem CID:	104297086
Reduced:	BrNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	345.07283
ΔH_f, kcal/mol:	-50.58
Dipole, Da:	4.29
IP(EA), eV:	-9.47(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-(4-butylphenyl)-3-methylbenzamide

Drug info:

PubChemData

Smile

CCC(C)N(CC)C(=O)C1=CC(=C(C=C1)Br)C

DOS

IR

Vibrations