Geometry & MOs

Info

ID:	249896
PubChem CID:	103092735
Reduced:	NSC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	231.1987
ΔH_f, kcal/mol:	23.41
Dipole, Da:	1.28
IP(EA), eV:	-8.97(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(4-propan-2-ylphenyl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC=CS1

DOS

IR

Vibrations