Geometry & MOs

Info

ID:	60499
PubChem CID:	26697099
Reduced:	O2N4C24H27 (1)
Stoich.:	A2B4C24D27 (1)
Weight, g/mol:	402.205576
ΔH_f, kcal/mol:	31.96
Dipole, Da:	7.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.079761
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-diphenylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1COCC[NH+]1CCNC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations