Geometry & MOs

Info

ID:	427420
PubChem CID:	135158812
Reduced:	OPN3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	5.84
Dipole, Da:	5.65
IP(EA), eV:	-7.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(8aS)-8-methylidene-1,3,4,6,7,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-2-(3,4-dimethoxyphenyl)-9-methylpyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)C2=CN3C(C=C2)PC(=CC3=O)C4=CC(=C(C=C4)C)C

DOS

IR

Vibrations