Geometry & MOs

Info

ID:	37041
PubChem CID:	8016351
Reduced:	O6H19C22 (1)
Stoich.:	A6B19C22 (1)
Weight, g/mol:	374.126657
ΔH_f, kcal/mol:	-183.65
Dipole, Da:	5.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756624
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-16,17-dimethoxy-1,11-diazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13(18),14,16-nonaen-19-one

Drug info:

PubChemData

Smile

CC1(CCC2=C3C(=C(C=C2O1)OCC(=O)[O-])C(=CC(=O)O3)C4=CC=CC=C4)C

DOS

IR

Vibrations