Geometry & MOs

Info

ID:	323946
PubChem CID:	126676653
Reduced:	ClFN2O2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-154.14
Dipole, Da:	2.01
IP(EA), eV:	-8.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-phenylmethoxyphenyl)-4a,5,7,8-tetrahydro-4H-pyrido[3,4-b]pyrazin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(C1)C=C(C(N2)Cl)F

DOS

IR

Vibrations