Geometry & MOs

Info

ID:	249812
PubChem CID:	103092261
Reduced:	N2O3C9H12 (1)
Stoich.:	A2B3C9D12 (1)
Weight, g/mol:	231.1987
ΔH_f, kcal/mol:	-0.25
Dipole, Da:	7.75
IP(EA), eV:	-9.48(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-tert-butylphenyl)-N-ethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=CC=C(O1)[N+](=O)[O-])NC

DOS

IR

Vibrations