Geometry & MOs

Info

ID:	195277
PubChem CID:	78668061
Reduced:	NO7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	421.146013
ΔH_f, kcal/mol:	-222.29
Dipole, Da:	3.16
IP(EA), eV:	-8.14(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2COC3=CC=CC=C3O2

DOS

IR

Vibrations