Geometry & MOs

Info

ID:	316168
PubChem CID:	126630265
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	402.194343
ΔH_f, kcal/mol:	-134.68
Dipole, Da:	8.38
IP(EA), eV:	-10.43(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-[2-(3-phenylmethoxyphenyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C=C)C(=O)N1CC(OC1=O)(C)C

DOS

IR

Vibrations