Geometry & MOs

Info

ID:	291653
PubChem CID:	113456018
Reduced:	BrN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	325.06774
ΔH_f, kcal/mol:	18.23
Dipole, Da:	3.25
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-bromopyridin-3-yl)methyl]-4-ethylcyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1CN(CCCN1)CC2=CC(=CN=C2)Br

DOS

IR

Vibrations