Geometry & MOs

Info

ID:	128574
PubChem CID:	51050884
Reduced:	O2N3H17C19 (1)
Stoich.:	A2B3C17D19 (1)
Weight, g/mol:	366.259022
ΔH_f, kcal/mol:	42.1
Dipole, Da:	6.53
IP(EA), eV:	-9.31(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[2-[(2R,3S,6S,8R,9S)-2-ethynyl-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-8-yl]ethoxy]-dimethylsilane

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(=O)C(=C)C)C)N=NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations