Geometry & MOs

Info

ID:	306696
PubChem CID:	125165356
Reduced:	ClN2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	378.205576
ΔH_f, kcal/mol:	-98.46
Dipole, Da:	4.78
IP(EA), eV:	-9.28(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9aS)-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

CC1=CC(=C(C(=C1)Cl)NC(=O)NC[C@@H]2CCCOC2)C

DOS

IR

Vibrations