Geometry & MOs

Info

ID:	268062
PubChem CID:	103597613
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	313.11365
ΔH_f, kcal/mol:	-95.78
Dipole, Da:	4.77
IP(EA), eV:	-9.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxyphenyl)-N-prop-2-enyl-N-(thiophen-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(OC1)C(=O)N2CCN(CC2)C(=O)C=CC3=NC4=CC=CC=C4O3

DOS

IR

Vibrations