Geometry & MOs

Info

ID:	249877
PubChem CID:	103092604
Reduced:	BrNSC17H20 (1)
Stoich.:	ABCD17E20 (1)
Weight, g/mol:	305.100499
ΔH_f, kcal/mol:	47.2
Dipole, Da:	2.49
IP(EA), eV:	-8.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[5-(3-chlorophenyl)thiophen-2-yl]-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC=C(S1)C2=CC=CC=C2Br

DOS

IR

Vibrations