Geometry & MOs

Info

ID:	420225
PubChem CID:	135111941
Reduced:	N3O4C17H19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	297.184112
ΔH_f, kcal/mol:	-98.13
Dipole, Da:	3.93
IP(EA), eV:	-9.29(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-6-methyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)CC2=C(C=CC(=C2)C3=NC=CN=C3)OCC(=O)O

DOS

IR

Vibrations