Geometry & MOs

Info

ID:	313949
PubChem CID:	126619166
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	423.134969
ΔH_f, kcal/mol:	-35.62
Dipole, Da:	5.15
IP(EA), eV:	-8.87(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-[(3-chlorophenyl)methoxy]phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propanoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=NC(=CN=C21)C3=CC=C(C=C3)OCC4=CC=CC=C4)CCC(=O)O

DOS

IR

Vibrations