Geometry & MOs

Info

ID:	414414
PubChem CID:	135087372
Reduced:	F2N2O3C17H18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-155.32
Dipole, Da:	7.09
IP(EA), eV:	-9.78(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC(=NO3)C)F)F

DOS

IR

Vibrations