Geometry & MOs

Info

ID:	209397
PubChem CID:	80665304
Reduced:	BrNO2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	270.03678
ΔH_f, kcal/mol:	-81.03
Dipole, Da:	7.17
IP(EA), eV:	-9.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromopropyl)-N,3-dimethylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N(C)CC(C)Br)O

DOS

IR

Vibrations