Geometry & MOs

Info

ID:	313922
PubChem CID:	126618976
Reduced:	N3O3C27H29 (1)
Stoich.:	A3B3C27D29 (1)
Weight, g/mol:	459.252192
ΔH_f, kcal/mol:	-37.16
Dipole, Da:	1.63
IP(EA), eV:	-8.69(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)CC1CC(C1)N2CCC3=NC(=NC=C3C2)C4=CC=C(C=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations