Geometry & MOs

Info

ID:	361238
PubChem CID:	127302402
Reduced:	N3O4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-160.13
Dipole, Da:	5.7
IP(EA), eV:	-8.95(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)NC(C)C1=CC2=C(C=C1)OCO2)NC(=O)N3CCCC3

DOS

IR

Vibrations