Geometry & MOs

Info

ID:	203103
PubChem CID:	79779378
Reduced:	ClON3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	168.101111
ΔH_f, kcal/mol:	15.27
Dipole, Da:	3.53
IP(EA), eV:	-8.31(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-methylpyrazol-3-yl)amino]propanamide

Drug info:

PubChemData

Smile

CN1C=CC(=N1)NCC(C2=CC=CC=C2Cl)O

DOS

IR

Vibrations