Geometry & MOs

Info

ID:	309348
PubChem CID:	126545586
Reduced:	ClN3O6C18H20 (1)
Stoich.:	AB3C6D18E20 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-198.09
Dipole, Da:	4.65
IP(EA), eV:	-9.18(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,6R)-12-ethyl-10,11,12-triazatricyclo[7.3.0.04,6]dodeca-1(9),10-dien-5-yl]methanol

Drug info:

PubChemData

Smile

CCOC(=O)N(CCOC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl)C(=O)OCC

DOS

IR

Vibrations