Geometry & MOs

Info

ID:	73551
PubChem CID:	48418107
Reduced:	N2O2C9H9 (2)
Stoich.:	A2B2C9D9 (2)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	3.69
IP(EA), eV:	-8.74(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-])N2CCC3=CC=CC=C32

DOS

IR

Vibrations