Geometry & MOs

Info

ID:	179042
PubChem CID:	76425819
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	356.184841
ΔH_f, kcal/mol:	-35.05
Dipole, Da:	3.12
IP(EA), eV:	-8.09(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-oxo-5-(2-oxo-1-propyl-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carbonyl)-3H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(N2)CN3CCC4C(C3)CCC(=O)N4CCN)C

DOS

IR

Vibrations