Geometry & MOs

Info

ID:	249912
PubChem CID:	103092816
Reduced:	BrNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	190.146999
ΔH_f, kcal/mol:	14.18
Dipole, Da:	2.57
IP(EA), eV:	-8.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(S1)C)Br

DOS

IR

Vibrations