Geometry & MOs

Info

ID:	422514
PubChem CID:	135117965
Reduced:	ClFON2C18H26 (1)
Stoich.:	ABCD2E18F26 (1)
Weight, g/mol:	339.134969
ΔH_f, kcal/mol:	-88.34
Dipole, Da:	4.34
IP(EA), eV:	-8.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2,4-dimethoxyphenyl)methyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)CN2CC[C@]3(CCCN([C@@H]3C2)C)CO)F

DOS

IR

Vibrations