Geometry & MOs

Info

ID:	48158
PubChem CID:	10537563
Reduced:	SSiO2C10H20 (1)
Stoich.:	ABC2D10E20 (1)
Weight, g/mol:	233.12766
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	3.88
IP(EA), eV:	-8.03(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)pentanenitrile

Drug info:

PubChemData

Smile

C[Si](C)(C)CCS(=O)C1=COCCC1

DOS

IR

Vibrations