Geometry & MOs

Info

ID:	34569
PubChem CID:	7978679
Reduced:	N3O4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-165.81
Dipole, Da:	3.42
IP(EA), eV:	-9.17(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(naphthalen-2-ylamino)-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NNC(=O)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations