Geometry & MOs

Info

ID:	82905
PubChem CID:	49856773
Reduced:	N2O3C25H30 (1)
Stoich.:	A2B3C25D30 (1)
Weight, g/mol:	199.099714
ΔH_f, kcal/mol:	-101.99
Dipole, Da:	2.36
IP(EA), eV:	-9.02(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8R,14S)-11-azatetracyclo[6.5.1.02,7.011,14]tetradeca-2,4,6-trien-10-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H]2[C@@H](CCN([C@H]2CC1=O)CC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations