Geometry & MOs

Info

ID:	140330
PubChem CID:	52683122
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	24.5
Dipole, Da:	2.67
IP(EA), eV:	-8.97(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylpyrimidin-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1C2=NC=C(C=N2)/C=C/C(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations