Geometry & MOs

Info

ID:	417685
PubChem CID:	135102494
Reduced:	SO2N3C19H25 (1)
Stoich.:	AB2C3D19E25 (1)
Weight, g/mol:	308.129156
ΔH_f, kcal/mol:	-53.21
Dipole, Da:	4.88
IP(EA), eV:	-8.87(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(NN=C1CCC(=O)N2CCC3(CC2)C4=C(CCO3)C=CS4)C

DOS

IR

Vibrations