Geometry & MOs

Info

ID:	56363
PubChem CID:	17425184
Reduced:	ClN2O3H11C13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	415.16444
ΔH_f, kcal/mol:	-74.67
Dipole, Da:	2.19
IP(EA), eV:	-9.6(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)C2=CC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations