Geometry & MOs

Info

ID:	406647
PubChem CID:	135078248
Reduced:	NSiO2C34H51 (1)
Stoich.:	ABC2D34E51 (1)
Weight, g/mol:	276.097088
ΔH_f, kcal/mol:	-127.64
Dipole, Da:	3.08
IP(EA), eV:	-8.92(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-5-(3,6,7,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)O[C@H]1CC[C@H]([C@H]1CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CCC=C

DOS

IR

Vibrations