Geometry & MOs

Info

ID:	417252
PubChem CID:	135091795
Reduced:	N5O6C27H31 (1)
Stoich.:	A5B6C27D31 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	7.55
IP(EA), eV:	-8.5(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-7-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)NC3CCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OCCCN5C=C(CO2)N=N5

DOS

IR

Vibrations