Geometry & MOs

Info

ID:	268068
PubChem CID:	103597644
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-67.58
Dipole, Da:	2.96
IP(EA), eV:	-9.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(5-methylfuran-2-yl)-N-[(1-methylimidazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

COCCN(CCOC)C(=O)C=CC1=CC=C(S1)C2=CC=CC=C2

DOS

IR

Vibrations