Geometry & MOs

Info

ID:	132149
PubChem CID:	51313726
Reduced:	ClN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	328.130218
ΔH_f, kcal/mol:	-62.31
Dipole, Da:	5.26
IP(EA), eV:	-8.88(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCCCNC(=O)CCC2=NC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations