Geometry & MOs

Info

ID:	416240
PubChem CID:	135089252
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	350.091198
ΔH_f, kcal/mol:	-23.62
Dipole, Da:	4.46
IP(EA), eV:	-8.94(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(2,3,4-trifluorophenyl)sulfonyl-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C2=NC(=NC=C2)N3CCC4(CC3)CNC(=O)CCO4)C

DOS

IR

Vibrations