Geometry & MOs

Info

ID:	195049
PubChem CID:	78627325
Reduced:	O2N5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	32.25
Dipole, Da:	2.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.110983
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=CC2=N1)C(=O)NN=C(C)C3=CC(=C(C=C3)OC)C[NH+]4CCCC4

DOS

IR

Vibrations