Geometry & MOs

Info

ID:	313912
PubChem CID:	126618920
Reduced:	ClN3O4H24C25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	347.144533
ΔH_f, kcal/mol:	-104.04
Dipole, Da:	4.06
IP(EA), eV:	-9.16(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(2,6-difluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations