Geometry & MOs

Info

ID:	293792
PubChem CID:	117401982
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-20.0
Dipole, Da:	4.65
IP(EA), eV:	-9.07(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-[3-(4-methylpyrazol-1-yl)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC1=NN(N=C1)C2=CC=CC=C2CC(C)(C)C(=O)O

DOS

IR

Vibrations