Geometry & MOs

Info

ID:	313923
PubChem CID:	126618981
Reduced:	N3O3C28H33 (1)
Stoich.:	A3B3C28D33 (1)
Weight, g/mol:	473.267842
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	3.69
IP(EA), eV:	-8.45(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=NC=C4CN(CCC4=N3)CC(C)CC(=O)O)C

DOS

IR

Vibrations