Geometry & MOs

Info

ID:	210634
PubChem CID:	80832194
Reduced:	ON5C12H21 (1)
Stoich.:	AB5C12D21 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-44.01
Dipole, Da:	1.77
IP(EA), eV:	-8.91(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-amino-2-nitroanilino)-4-methylcyclohexyl]methanol

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CO)NC2=NC(=NC(=C2)N)N

DOS

IR

Vibrations