Geometry & MOs

Info

ID:	172477
PubChem CID:	75513059
Reduced:	N4C15H24 (1)
Stoich.:	A4B15C24 (1)
Weight, g/mol:	335.103669
ΔH_f, kcal/mol:	21.84
Dipole, Da:	3.17
IP(EA), eV:	-9.17(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)CCN=C(N)N2CCCCCC2

DOS

IR

Vibrations