Geometry & MOs

Info

ID:	249980
PubChem CID:	103093262
Reduced:	ON2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	349.04998
ΔH_f, kcal/mol:	-24.58
Dipole, Da:	2.13
IP(EA), eV:	-8.52(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C)/C(=C/C1=CC=C(C=C1)OCCN(C)C)/C

DOS

IR

Vibrations