Geometry & MOs

Info

ID:	148854
PubChem CID:	53788523
Reduced:	OH10C11 (1)
Stoich.:	AB10C11 (1)
Weight, g/mol:	280.117155
ΔH_f, kcal/mol:	34.01
Dipole, Da:	5.15
IP(EA), eV:	-9.31(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-cyclopropyl-4-ethyl-5-methyl-2,6-dinitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#CC=O)C

DOS

IR

Vibrations