Geometry & MOs

Info

ID:	53527
PubChem CID:	14716445
Reduced:	SN3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	311.126991
ΔH_f, kcal/mol:	8.95
Dipole, Da:	5.02
IP(EA), eV:	-8.56(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9-diethoxy-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile

Drug info:

PubChemData

Smile

CN1CC(=S)NC2(N1)CCCCC2

DOS

IR

Vibrations