Geometry & MOs

Info

ID:	46571
PubChem CID:	10525292
Reduced:	SiN2O4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	404.307916
ΔH_f, kcal/mol:	-153.66
Dipole, Da:	4.26
IP(EA), eV:	-8.64(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(1-adamantyl)-(2,4-dimethylphenyl)methanol

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H](NC1=O)CC(=O)/C(=N/OC)/C2=CC=CC=C2)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations