Geometry & MOs

Info

ID:	258259
PubChem CID:	103152361
Reduced:	NOC6H14 (2)
Stoich.:	ABC6D14 (2)
Weight, g/mol:	269.137556
ΔH_f, kcal/mol:	-112.87
Dipole, Da:	1.56
IP(EA), eV:	-8.79(1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-ethyl-2-methylpyrazole-3-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCC(C)N(CCC(CN)OC)CCOC

DOS

IR

Vibrations