Geometry & MOs

Info

ID:	66008
PubChem CID:	46488101
Reduced:	O2F3N3H20C21 (1)
Stoich.:	A2B3C3D20E21 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-161.88
Dipole, Da:	2.41
IP(EA), eV:	-9.32(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)COC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations