Geometry & MOs

Info

ID:	70993
PubChem CID:	48414153
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	20.55
Dipole, Da:	10.01
IP(EA), eV:	-9.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

DOS

IR

Vibrations