Geometry & MOs

Info

ID:	313956
PubChem CID:	126619175
Reduced:	F2N3O3C25H25 (1)
Stoich.:	A2B3C3D25E25 (1)
Weight, g/mol:	445.236542
ΔH_f, kcal/mol:	-140.9
Dipole, Da:	7.66
IP(EA), eV:	-8.82(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[2-[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-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)C3=CC=C(C=C3)OCC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations