Geometry & MOs

Info

ID:	150364
PubChem CID:	53790053
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-17.56
Dipole, Da:	4.27
IP(EA), eV:	-9.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,3-trimethyl-4-[(Z)-2-nitroethenyl]benzene

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OCC#C)C2=CC=CC=C2)C(=O)OCC#C)C

DOS

IR

Vibrations