Geometry & MOs

Info

ID:	34529
PubChem CID:	7978630
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	397.095997
ΔH_f, kcal/mol:	-78.53
Dipole, Da:	1.44
IP(EA), eV:	-8.92(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 1-butyl-5-chloro-3-methylpyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=O)COC4=CC=CC=C4C5=CC=CC=C5

DOS

IR

Vibrations