Geometry & MOs

Info

ID:	313889
PubChem CID:	126618689
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	423.252192
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	3.28
IP(EA), eV:	-8.82(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-methyl-4-[2-(3-phenylmethoxycyclobutyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]butanoate

Drug info:

PubChemData

Smile

CC(CN1CCC2=NC(=NC=C2C1)C3=CC=C(C=C3)OCC4=CC(=CC=C4)Cl)C(=O)OC

DOS

IR

Vibrations