Geometry & MOs

Info

ID:	25286
PubChem CID:	622245
Reduced:	O2C11H12 (2)
Stoich.:	A2B11C12 (2)
Weight, g/mol:	540.303805
ΔH_f, kcal/mol:	-130.35
Dipole, Da:	2.06
IP(EA), eV:	-8.72(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dichloro-14,18-dimethyl-19-(6-methylheptan-2-yl)-3,10-diazahexacyclo[12.11.0.02,11.04,9.015,23.018,22]pentacosa-2,4,6,8,10-pentaene

Drug info:

PubChemData

Smile

CCOC(=O)CC(C1=CC=C(C=C1)OC)C2=C(C3=C(O2)C=CC(=C3)C)C

DOS

IR

Vibrations