Geometry & MOs

Info

ID:	186287
PubChem CID:	77413984
Reduced:	SiO7C33H60 (1)
Stoich.:	AB7C33D60 (1)
Weight, g/mol:	394.181191
ΔH_f, kcal/mol:	-440.29
Dipole, Da:	0.88
IP(EA), eV:	-8.73(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(furan-2-ylmethyl)-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2,4,12(21),14,16-pentaene;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)OCCC1C(C(CCO1)OC2(CCCC2)O[Si](C)(C)C(C)(C)C)C=CCCCCCCOC3CCCCO3

DOS

IR

Vibrations