Geometry & MOs

Info

ID:	69921
PubChem CID:	47205757
Reduced:	N3O5C12H19 (1)
Stoich.:	A3B5C12D19 (1)
Weight, g/mol:	233.062283
ΔH_f, kcal/mol:	-240.57
Dipole, Da:	8.91
IP(EA), eV:	-10.06(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-methylthiophen-2-yl)-N-(1H-pyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC(=O)CCCCCNC(=O)CC1C(=O)NC(=O)N1

DOS

IR

Vibrations