Geometry & MOs

Info

ID:	285102
PubChem CID:	104098153
Reduced:	ON3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	226.077599
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	3.7
IP(EA), eV:	-9.0(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(5-nitrothiophen-2-yl)methyl]pent-3-en-1-amine

Drug info:

PubChemData

Smile

CC(C)CN1C=C(C=N1)CNCCC(C)O

DOS

IR

Vibrations