Geometry & MOs

Info

ID:	234290
PubChem CID:	92298111
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	361.106256
ΔH_f, kcal/mol:	-55.22
Dipole, Da:	6.81
IP(EA), eV:	-9.4(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C(/C#N)\C(=O)NCCOC

DOS

IR

Vibrations