Geometry & MOs

Info

ID:	313910
PubChem CID:	126618905
Reduced:	ON3H17C19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	59.62
Dipole, Da:	2.25
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2=CN=C(N=C2CN1)C3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations