Geometry & MOs

Info

ID:	234322
PubChem CID:	92298177
Reduced:	O2C12H13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	377.101171
ΔH_f, kcal/mol:	-97.78
Dipole, Da:	4.0
IP(EA), eV:	-8.66(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-cyano-3-[2-(4-methoxyphenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C[C@H]2CC=CC[C@H](C(=O)C2=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations