Geometry & MOs

Info

ID:	134328
PubChem CID:	51681195
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	238.142976
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	5.21
IP(EA), eV:	-8.8(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(1S,2R)-2-methylcyclohexyl]-5-nitroimidazol-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]1C2=CC=C(O2)CCC(=O)N3CCC[C@@H](C3)O

DOS

IR

Vibrations