Geometry & MOs

Info

ID:	371635
PubChem CID:	131269382
Reduced:	NSO3C7H11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	189.090212
ΔH_f, kcal/mol:	-100.61
Dipole, Da:	4.04
IP(EA), eV:	-8.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C=C1CS(=O)CCN1

DOS

IR

Vibrations