Geometry & MOs

Info

ID:	77282
PubChem CID:	48426014
Reduced:	ClO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	396.111981
ΔH_f, kcal/mol:	-47.6
Dipole, Da:	2.83
IP(EA), eV:	-9.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-[(2-chlorophenyl)methyl]-N-[2-(diethylamino)-2-oxoethyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(N(N=C1C)CC2=CC=CC=C2)Cl

DOS

IR

Vibrations