Geometry & MOs

Info

ID:	250002
PubChem CID:	103093417
Reduced:	NO2C17H27 (1)
Stoich.:	AB2C17D27 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-72.55
Dipole, Da:	1.66
IP(EA), eV:	-8.11(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(ethylamino)-2-methylbut-1-enyl]benzamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)/C=C(/C)\C(C)NCC)OC

DOS

IR

Vibrations