Geometry & MOs

Info

ID:	203408
PubChem CID:	79827082
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-70.76
Dipole, Da:	9.56
IP(EA), eV:	-9.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(6-amino-5-nitropyridin-2-yl)amino]methyl]-4-ethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(CCC(CC1)(CNC2=NC(=C(C=C2)[N+](=O)[O-])N)O)C

DOS

IR

Vibrations