Geometry & MOs

Info

ID:	424510
PubChem CID:	135122963
Reduced:	N3O5C21H31 (1)
Stoich.:	A3B5C21D31 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-210.92
Dipole, Da:	5.9
IP(EA), eV:	-9.54(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-2-nitro-5-(1-phenylethenyl)benzene

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCOC(=O)C4CCOCC4

DOS

IR

Vibrations