Geometry & MOs

Info

ID:	249918
PubChem CID:	103092861
Reduced:	NOC18H29 (1)
Stoich.:	ABC18D29 (1)
Weight, g/mol:	305.100499
ΔH_f, kcal/mol:	-45.54
Dipole, Da:	2.94
IP(EA), eV:	-8.49(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)/C=C/C(C)NCCC

DOS

IR

Vibrations