Geometry & MOs

Info

ID:	249793
PubChem CID:	103092158
Reduced:	SCl2N2C8H10 (1)
Stoich.:	AB2C2D8E10 (1)
Weight, g/mol:	189.15175
ΔH_f, kcal/mol:	38.03
Dipole, Da:	4.85
IP(EA), eV:	-9.24(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,3-dimethylphenyl)-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=C(N=C(S1)Cl)Cl)NC

DOS

IR

Vibrations