Geometry & MOs

Info

ID:	264849
PubChem CID:	103497671
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-141.16
Dipole, Da:	3.95
IP(EA), eV:	-9.54(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC(=C1)C)C(=O)C(C)C(C)C(=O)O

DOS

IR

Vibrations