Geometry & MOs

Info

ID:	204180
PubChem CID:	79925717
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-77.14
Dipole, Da:	2.55
IP(EA), eV:	-8.18(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-4-chlorophenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

C1CCN2C(C1)C(=O)N(CC2=O)CCC3=CC=CC=C3N

DOS

IR

Vibrations