Geometry & MOs

Info

ID:	60502
PubChem CID:	26697102
Reduced:	FO2N4C24H25 (1)
Stoich.:	AB2C4D24E25 (1)
Weight, g/mol:	433.223966
ΔH_f, kcal/mol:	-24.83
Dipole, Da:	5.59
IP(EA), eV:	-8.91(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(E)-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(2-morpholin-4-ium-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCCN1CCNC(=O)/C=C/C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations