Geometry & MOs

Info

ID:	47720
PubChem CID:	10534904
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	155.164303
ΔH_f, kcal/mol:	-64.46
Dipole, Da:	3.2
IP(EA), eV:	-10.07(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,9aS)-5-deuterio-5-(deuteriomethyl)-1,2,3,6,7,8,9,9a-octahydropyrrolo[1,2-a]azepine

Drug info:

PubChemData

Smile

CC(C)C1=NC(C(C1)(C)C)O

DOS

IR

Vibrations