Geometry & MOs

Info

ID:	249878
PubChem CID:	103092606
Reduced:	ClNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	190.146999
ΔH_f, kcal/mol:	34.12
Dipole, Da:	3.05
IP(EA), eV:	-8.87(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-propyl-4-pyridin-3-ylbut-3-en-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations