Geometry & MOs

Info

ID:	253217
PubChem CID:	103116854
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	281.173942
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	3.45
IP(EA), eV:	-9.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1-methylpyrazole-3-carbonyl)amino]ethyl]heptanoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)O)CCNC(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations