Geometry & MOs

Info

ID:	419230
PubChem CID:	135107805
Reduced:	ClO3N5C21H26 (1)
Stoich.:	AB3C5D21E26 (1)
Weight, g/mol:	324.12407
ΔH_f, kcal/mol:	-69.53
Dipole, Da:	3.51
IP(EA), eV:	-9.68(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN2C=C(CCC(=O)NCC3CCN(CC3)C(=O)C4=C(C=C(C=C4)Cl)OC1)N=N2

DOS

IR

Vibrations