Geometry & MOs

Info

ID:	313948
PubChem CID:	126619165
Reduced:	N3O3C25H27 (1)
Stoich.:	A3B3C25D27 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-45.44
Dipole, Da:	2.07
IP(EA), eV:	-8.71(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations