Geometry & MOs

Info

ID:	182879
PubChem CID:	76948858
Reduced:	NF2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	-176.49
Dipole, Da:	7.51
IP(EA), eV:	-9.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-2-nitropent-1-enyl)thiophene

Drug info:

PubChemData

Smile

CC(C)CC(=CC1=CC(=C(C=C1)OC)OC(F)F)[N+](=O)[O-]

DOS

IR

Vibrations