Geometry & MOs

Info

ID:	257325
PubChem CID:	103145288
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	-107.44
Dipole, Da:	8.18
IP(EA), eV:	-9.47(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-(2,5-dimethyl-4-nitrophenyl)carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations