Geometry & MOs

Info

ID:	253195
PubChem CID:	103116729
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-58.66
Dipole, Da:	2.32
IP(EA), eV:	-9.75(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[ethyl-(1-methylindazole-3-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCN(C(=O)C1=C2C=NC=CN2N=C1)C(C)(C)C(=O)O

DOS

IR

Vibrations