Geometry & MOs

Info

ID:	76923
PubChem CID:	48425581
Reduced:	NOC7H9 (3)
Stoich.:	ABC7D9 (3)
Weight, g/mol:	314.174276
ΔH_f, kcal/mol:	-94.6
Dipole, Da:	3.71
IP(EA), eV:	-9.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC(=C(C(=C1)C)OCC2=CN=CC=C2)C

DOS

IR

Vibrations