Geometry & MOs

Info

ID:	207001
PubChem CID:	80330838
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	231.11201
ΔH_f, kcal/mol:	-64.05
Dipole, Da:	7.0
IP(EA), eV:	-9.0(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(1S)-1-aminoethyl]pyridin-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2CCC1CC(C2)CNCC3=CC(=CS3)C(=O)O

DOS

IR

Vibrations