Geometry & MOs

Info

ID:	252923
PubChem CID:	103114958
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	264.147393
ΔH_f, kcal/mol:	55.44
Dipole, Da:	5.14
IP(EA), eV:	-9.4(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(2-methyl-3-nitrophenyl)methylamino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNCCCC#C

DOS

IR

Vibrations