Geometry & MOs

Info

ID:	249973
PubChem CID:	103093226
Reduced:	ClNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	283.133907
ΔH_f, kcal/mol:	30.56
Dipole, Da:	3.39
IP(EA), eV:	-9.02(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2-chloro-3,4-dimethoxyphenyl)-N-ethyl-3-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC=C(S1)C2=CC(=CC=C2)Cl)/C

DOS

IR

Vibrations