Geometry & MOs

Info

ID:	383407
PubChem CID:	134975113
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	248.188863
ΔH_f, kcal/mol:	-119.95
Dipole, Da:	4.99
IP(EA), eV:	-8.81(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)[C@@H](CO)C2=CC=CC=C2)CCC3OCCO3

DOS

IR

Vibrations