Geometry & MOs

Info

ID:	268441
PubChem CID:	103599386
Reduced:	ON5H23C25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	431.172417
ΔH_f, kcal/mol:	93.85
Dipole, Da:	4.23
IP(EA), eV:	-9.09(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CCNC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations