Geometry & MOs

Info

ID:	249876
PubChem CID:	103092601
Reduced:	NOBr2C16H23 (1)
Stoich.:	ABC2D16E23 (1)
Weight, g/mol:	349.04998
ΔH_f, kcal/mol:	-23.15
Dipole, Da:	4.97
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations