Geometry & MOs

Info

ID:	404989
PubChem CID:	135072000
Reduced:	NO2S2C25H25 (1)
Stoich.:	AB2C2D25E25 (1)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	25.65
Dipole, Da:	7.17
IP(EA), eV:	-8.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(3-octa-1,2-dienylpyridin-4-yl)carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CSC2=CC=CC=C2)C3=CC=CC=C3C(C)C

DOS

IR

Vibrations