Geometry & MOs

Info

ID:	276229
PubChem CID:	103821406
Reduced:	BrN2O2C17H25 (1)
Stoich.:	AB2C2D17E25 (1)
Weight, g/mol:	301.065176
ΔH_f, kcal/mol:	-118.88
Dipole, Da:	2.22
IP(EA), eV:	-8.38(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(3-methylsulfanylcyclohexyl)-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2CCC(C2)NC(=O)OC(C)(C)C)Br

DOS

IR

Vibrations