Geometry & MOs

Info

ID:	129890
PubChem CID:	51074174
Reduced:	N3O4C17H17 (1)
Stoich.:	A3B4C17D17 (1)
Weight, g/mol:	261.08235
ΔH_f, kcal/mol:	-64.12
Dipole, Da:	4.2
IP(EA), eV:	-8.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(furan-2-yl)-N-methyl-N-(1-thiophen-2-ylethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN(C)C(=O)C2=CC3=CC=CC=C3OC2

DOS

IR

Vibrations