Geometry & MOs

Info

ID:	271426
PubChem CID:	103676793
Reduced:	ClN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-43.56
Dipole, Da:	1.77
IP(EA), eV:	-9.26(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(2,3-dimethyl-5-nitroimidazol-4-yl)amino]methyl]cycloheptan-1-ol

Drug info:

PubChemData

Smile

CCN(C1=CC=NC=C1)C(=O)C2=C(C=CC(=C2)Cl)O

DOS

IR

Vibrations