Geometry & MOs

Info

ID:	195099
PubChem CID:	78635750
Reduced:	N2O5C24H26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	422.184172
ΔH_f, kcal/mol:	-138.79
Dipole, Da:	5.16
IP(EA), eV:	-8.53(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-(4-butoxy-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C=CC(=O)OCC2=CC(=O)N3C(=CC=CC3=N2)C)OC

DOS

IR

Vibrations