Geometry & MOs

Info

ID:	47994
PubChem CID:	10536232
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	205.089149
ΔH_f, kcal/mol:	-74.16
Dipole, Da:	4.43
IP(EA), eV:	-8.95(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),3,5,8,12(16),13-heptaene

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C3CCCC(=O)N3CC2

DOS

IR

Vibrations