Geometry & MOs

Info

ID:	249981
PubChem CID:	103093263
Reduced:	BrNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	217.18305
ΔH_f, kcal/mol:	42.24
Dipole, Da:	4.33
IP(EA), eV:	-8.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations