Geometry & MOs

Info

ID:	313921
PubChem CID:	126618972
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	25.93
Dipole, Da:	1.85
IP(EA), eV:	-8.74(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]cyclobutyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C3=NC4=C(CNCC4)C=C3

DOS

IR

Vibrations