Geometry & MOs

Info

ID:	176511
PubChem CID:	76061782
Reduced:	O2N5C15H26 (1)
Stoich.:	A2B5C15D26 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-64.18
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.846302
Charge, e:	0

Chem-info

IUPAC name:

N-(6-butyl-4-methyl-2-oxopyridin-3-ylidene)acetamide

Drug info:

PubChemData

Smile

CCN(CC)CCCN1C2C(=[N+](C(=O)N(C2=O)C)C)N=C1C

DOS

IR

Vibrations