Geometry & MOs

Info

ID:	203101
PubChem CID:	79779376
Reduced:	ON2C6H7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	239.163377
ΔH_f, kcal/mol:	59.78
Dipole, Da:	6.23
IP(EA), eV:	-8.34(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(1-methylpyrazol-3-yl)amino]hexanoate

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NCCC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations