Geometry & MOs

Info

ID:	267366
PubChem CID:	103582013
Reduced:	BrNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	305.01637
ΔH_f, kcal/mol:	-55.15
Dipole, Da:	4.32
IP(EA), eV:	-8.78(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3,5-dimethylphenyl)pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC(=C(C(=C1)C)Br)C

DOS

IR

Vibrations