Geometry & MOs

Info

ID:	34549
PubChem CID:	7978653
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-101.54
Dipole, Da:	3.84
IP(EA), eV:	-9.15(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)CNC(=O)CC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations