Geometry & MOs

Info

ID:	217238
PubChem CID:	85087483
Reduced:	NSO3C19H23 (1)
Stoich.:	ABC3D19E23 (1)
Weight, g/mol:	345.248791
ΔH_f, kcal/mol:	-105.87
Dipole, Da:	1.04
IP(EA), eV:	-8.69(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(azepan-1-yl)ethyl-cyclohexyl-phenylsilyl]methanol

Drug info:

PubChemData

Smile

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)OC

DOS

IR

Vibrations