Geometry & MOs

Info

ID:	126361
PubChem CID:	50962268
Reduced:	N3O3C19H21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	305.185175
ΔH_f, kcal/mol:	-100.6
Dipole, Da:	2.59
IP(EA), eV:	-8.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-ethylimidazol-1-yl)propanoyl]-3,4,6,7,8,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-9-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)C

DOS

IR

Vibrations