Geometry & MOs

Info

ID:	313947
PubChem CID:	126619164
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	417.205242
ΔH_f, kcal/mol:	-60.42
Dipole, Da:	4.22
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations