Geometry & MOs

Info

ID:	249838
PubChem CID:	103092395
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	243.058155
ΔH_f, kcal/mol:	-62.22
Dipole, Da:	2.67
IP(EA), eV:	-8.58(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3,4-dichlorophenyl)-N-ethylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C=C/C1=CC(=C(C=C1)O)O

DOS

IR

Vibrations