Geometry & MOs

Info

ID:	414099
PubChem CID:	135087053
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	264.02621
ΔH_f, kcal/mol:	-105.58
Dipole, Da:	2.06
IP(EA), eV:	-8.87(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-(4-bromophenyl)hex-2-enenitrile

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CC=CC=C1OCCC=C

DOS

IR

Vibrations