Geometry & MOs

Info

ID:	77013
PubChem CID:	48425707
Reduced:	O3N4C18H24 (1)
Stoich.:	A3B4C18D24 (1)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-65.03
Dipole, Da:	5.38
IP(EA), eV:	-9.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-4-(3-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CCC1=NC(=NO1)CC2=CC=CC=C2

DOS

IR

Vibrations