Geometry & MOs

Info

ID:	405196
PubChem CID:	135072934
Reduced:	NO2F3C19H24 (1)
Stoich.:	AB2C3D19E24 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-201.78
Dipole, Da:	6.37
IP(EA), eV:	-8.71(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(4-methylpenta-1,2-dienyl)pyridin-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C\COC(=NC1=CC=C(C=C1)OC)C(F)(F)F)/C)C

DOS

IR

Vibrations