Geometry & MOs

Info

ID:	313915
PubChem CID:	126618924
Reduced:	F3N3O3C27H28 (1)
Stoich.:	A3B3C3D27E28 (1)
Weight, g/mol:	431.220892
ΔH_f, kcal/mol:	-219.89
Dipole, Da:	3.53
IP(EA), eV:	-8.73(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)COC2=CC=C(C=C2)C3=NC=C4CN(CCC4=N3)CC(C)CC(=O)O)C(F)(F)F

DOS

IR

Vibrations