Geometry & MOs

Info

ID:	79292
PubChem CID:	49747875
Reduced:	NO3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-88.39
Dipole, Da:	4.4
IP(EA), eV:	-8.52(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(4-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCC(C3)C4=CC=CC=C4)C

DOS

IR

Vibrations