Geometry & MOs

Info

ID:	207232
PubChem CID:	80363427
Reduced:	NO5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	198.111676
ΔH_f, kcal/mol:	-215.23
Dipole, Da:	9.68
IP(EA), eV:	-9.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-1H-pyrazol-5-yl)-4-methoxybutanamide

Drug info:

PubChemData

Smile

CCOCCCC(=O)NC1=CC(=C(C=C1)C(=O)O)O

DOS

IR

Vibrations