Geometry & MOs

Info

ID:	365282
PubChem CID:	127317637
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-78.59
Dipole, Da:	3.93
IP(EA), eV:	-8.56(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)cinnolin-4-one

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)CNC(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations