Geometry & MOs

Info

ID:	274105
PubChem CID:	103807069
Reduced:	O2N3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	358.04475
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	8.28
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-1-cyclohexylethyl)-2-bromo-4-chlorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)C(=O)NC(CN)C2CCCCC2

DOS

IR

Vibrations