Geometry & MOs

Info

ID:	252912
PubChem CID:	103114899
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-28.66
Dipole, Da:	6.02
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[(2-methyl-3-nitrophenyl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CCSCCN1C(=C(N=N1)C(=O)O)CC2=CC=CC(=C2)C

DOS

IR

Vibrations