Geometry & MOs

Info

ID:	446799
PubChem CID:	135277784
Reduced:	NSH39C55 (1)
Stoich.:	ABC39D55 (1)
Weight, g/mol:	248.127326
ΔH_f, kcal/mol:	206.35
Dipole, Da:	1.49
IP(EA), eV:	-7.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[(aminodiazenyl)methyl]pyridin-2-yl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=C(C8=C(C=C7)C9=CC=CC=C9S8)C1=CC2=CC=CC=C2C=C1)C

DOS

IR

Vibrations