Geometry & MOs

Info

ID:	203344
PubChem CID:	79815456
Reduced:	ON3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	250.142976
ΔH_f, kcal/mol:	18.98
Dipole, Da:	4.13
IP(EA), eV:	-8.59(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-N-(1-cyclopentylethyl)-3-nitropyridine-2,6-diamine

Drug info:

PubChemData

Smile

CCOC1=NC2=C(C=C1)NC(=N2)C3=C(C=C(C=C3)C)C

DOS

IR

Vibrations