Geometry & MOs

Info

ID:	51546
PubChem CID:	12014234
Reduced:	N3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	412.319284
ΔH_f, kcal/mol:	70.7
Dipole, Da:	4.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.060621
Charge, e:	0

Chem-info

IUPAC name:

(1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol

Drug info:

PubChemData

Smile

CC[N+]1=C(C=C(N2C1=CC(=N2)C3=CC=CC=C3)C)C

DOS

IR

Vibrations