Geometry & MOs

Info

ID:	64863
PubChem CID:	29204110
Reduced:	N2O5C17H20 (1)
Stoich.:	A2B5C17D20 (1)
Weight, g/mol:	323.128821
ΔH_f, kcal/mol:	-97.65
Dipole, Da:	3.47
IP(EA), eV:	-9.26(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)/C=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C

DOS

IR

Vibrations