Geometry & MOs

Info

ID:	274071
PubChem CID:	103806866
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-85.55
Dipole, Da:	4.9
IP(EA), eV:	-9.04(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(aminomethyl)cyclopentyl]-6-oxo-1H-pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CN)NC(=O)C2=CC3=C(C=C2)NC(=O)CC3

DOS

IR

Vibrations