Geometry & MOs

Info

ID:	337195
PubChem CID:	127256760
Reduced:	N2O9C28H30 (1)
Stoich.:	A2B9C28D30 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-331.93
Dipole, Da:	6.29
IP(EA), eV:	-9.19(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethyl-6-nitro-5-pentan-3-ylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)OCC2=CC=CC=C2C(=O)N)N.C1=CC(=C(C=C1CCC(=O)O)O)O

DOS

IR

Vibrations