Geometry & MOs

Info

ID:	320805
PubChem CID:	126663583
Reduced:	BrN2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	224.131349
ΔH_f, kcal/mol:	2.1
Dipole, Da:	3.92
IP(EA), eV:	-8.07(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-pyridin-4-ylcyclohexa-1,5-dien-1-yl)butanenitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C2C=C(N3C2=C1CCC3)C4CC[C@@H](C4)N)C)Br

DOS

IR

Vibrations