Geometry & MOs

Info

ID:	394453
PubChem CID:	135023017
Reduced:	O2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	209.120449
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	4.49
IP(EA), eV:	-9.82(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-15-azapentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-4,9,11,13-tetraene

Drug info:

PubChemData

Smile

C[C@@]1(CC2C=CC1C(=O)C23CO3)C(=O)OC

DOS

IR

Vibrations