Geometry & MOs

Info

ID:	34471
PubChem CID:	7978512
Reduced:	N3O5H13C19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	369.181919
ΔH_f, kcal/mol:	-79.1
Dipole, Da:	4.04
IP(EA), eV:	-9.53(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NNC(=O)COC3=CC=C(C=C3)C#N

DOS

IR

Vibrations