Geometry & MOs

Info

ID:	313911
PubChem CID:	126618912
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	465.145534
ΔH_f, kcal/mol:	-46.2
Dipole, Da:	2.67
IP(EA), eV:	-9.18(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-[(4-chlorophenyl)methoxy]phenyl]-5-oxo-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1CCC2=NC(=NC=C2C1)CC3=CC=CC=C3

DOS

IR

Vibrations