Geometry & MOs

Info

ID:	6874
PubChem CID:	70340
Reduced:	NO2C10H13 (1)
Stoich.:	AB2C10D13 (1)
Weight, g/mol:	179.094629
ΔH_f, kcal/mol:	-10.95
Dipole, Da:	5.22
IP(EA), eV:	-9.8(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-2-nitro-4-propan-2-ylbenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations