Geometry & MOs

Info

ID:	255483
PubChem CID:	103132381
Reduced:	NOC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	182.105528
ΔH_f, kcal/mol:	-83.9
Dipole, Da:	4.25
IP(EA), eV:	-8.56(1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-(1-methylpyrazol-3-yl)butanoic acid

Drug info:

PubChemData

Smile

CC1CCC(O1)C/C(=C\CCNC(C)C)/C

DOS

IR

Vibrations