Geometry & MOs

Info

ID:	415427
PubChem CID:	135088421
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-74.96
Dipole, Da:	2.92
IP(EA), eV:	-8.99(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1,4-benzodioxin-6-yl-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)C(=O)N2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations