Geometry & MOs

Info

ID:	203345
PubChem CID:	79815469
Reduced:	ON2C6H9 (2)
Stoich.:	AB2C6D9 (2)
Weight, g/mol:	268.153541
ΔH_f, kcal/mol:	-12.61
Dipole, Da:	8.11
IP(EA), eV:	-9.19(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-amino-5-nitropyridin-2-yl)amino]-2,4-dimethylpentan-2-ol

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC2=NC(=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations