Geometry & MOs

Info

ID:	249810
PubChem CID:	103092258
Reduced:	NSC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	189.15175
ΔH_f, kcal/mol:	18.69
Dipole, Da:	1.19
IP(EA), eV:	-8.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,5-dimethylphenyl)-N-methylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)/C=C/C(C)NC

DOS

IR

Vibrations