Geometry & MOs

Info

ID:	213831
PubChem CID:	81065169
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	-137.72
Dipole, Da:	5.19
IP(EA), eV:	-9.12(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCCN1C=CC=C1C(=O)NCC(CC)CC(=O)O

DOS

IR

Vibrations