Geometry & MOs

Info

ID:	363250
PubChem CID:	127310391
Reduced:	N3F4O4C16H17 (1)
Stoich.:	A3B4C4D16E17 (1)
Weight, g/mol:	390.170333
ΔH_f, kcal/mol:	-351.12
Dipole, Da:	2.82
IP(EA), eV:	-9.24(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)C1NC(=O)NCC2=CC(=CC3=C2OCOC3)F)CC(F)(F)F

DOS

IR

Vibrations