Geometry & MOs

Info

ID:	37057
PubChem CID:	8016441
Reduced:	OSN2H12C22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	371.163377
ΔH_f, kcal/mol:	83.53
Dipole, Da:	1.87
IP(EA), eV:	-8.87(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(diethylaminomethyl)-5-hydroxy-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC=C(C4=C3N(C2=O)C5=CC=CC=C54)C6=CC=CS6

DOS

IR

Vibrations