Geometry & MOs

Info

ID:	374476
PubChem CID:	131329989
Reduced:	BrSN2C7H7 (1)
Stoich.:	ABC2D7E7 (1)
Weight, g/mol:	330.02291
ΔH_f, kcal/mol:	53.17
Dipole, Da:	2.34
IP(EA), eV:	-9.91(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-iodo-6-methylpyridin-2-yl)-2,2-dimethylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(SC(=N1)Br)C#N

DOS

IR

Vibrations