Geometry & MOs

Info

ID:	217595
PubChem CID:	85088079
Reduced:	NOC12H16 (2)
Stoich.:	ABC12D16 (2)
Weight, g/mol:	380.180771
ΔH_f, kcal/mol:	-66.0
Dipole, Da:	3.46
IP(EA), eV:	-8.0(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethylidene)cyclohexan-1-one

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCC1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C(C)C)C

DOS

IR

Vibrations