Geometry & MOs

Info

ID:	249811
PubChem CID:	103092260
Reduced:	NC13H19 (1)
Stoich.:	AB13C19 (1)
Weight, g/mol:	196.084792
ΔH_f, kcal/mol:	11.94
Dipole, Da:	1.52
IP(EA), eV:	-8.77(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-methyl-4-(5-nitrofuran-2-yl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)/C=C/C(C)NC

DOS

IR

Vibrations