Geometry & MOs

Info

ID:	420161
PubChem CID:	135111517
Reduced:	NO2C11H11 (3)
Stoich.:	AB2C11D11 (3)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-57.92
Dipole, Da:	5.76
IP(EA), eV:	-8.14(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]-[4-(4-methylphenyl)phenyl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C2C3C4=CC=C(C=C4)OCCOCCN(CC(=O)N3CCC2=C1)C(=O)C5=NC6=CC=CC=C6C=C5)OC

DOS

IR

Vibrations