Geometry & MOs

Info

ID:	440187
PubChem CID:	135230097
Reduced:	NO2S2C13H19 (1)
Stoich.:	AB2C2D13E19 (1)
Weight, g/mol:	196.193949
ΔH_f, kcal/mol:	0.93
Dipole, Da:	5.45
IP(EA), eV:	-8.98(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(Z)-butylideneamino]-N-ethyl-4-methylpent-2-en-3-amine

Drug info:

PubChemData

Smile

CC(C)C(C)SSC1=CC=CC(C=C1)(C)[N+](=O)[O-]

DOS

IR

Vibrations