Geometry & MOs

Info

ID:	306697
PubChem CID:	125165370
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-24.49
Dipole, Da:	9.82
IP(EA), eV:	-8.23(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9aR)-2-[3-[4-(dimethylamino)phenyl]benzoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)N3CCN4CCNC(=O)[C@@H]4C3

DOS

IR

Vibrations