Geometry & MOs

Info

ID:	316151
PubChem CID:	126630218
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	41.21
Dipole, Da:	1.82
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[2-(4-phenylmethoxyphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethyl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC=C(C=C1)COC2=CC=C(C=C2)C3=NC=C4CNCCC4=N3

DOS

IR

Vibrations