Geometry & MOs

Info

ID:	14345
PubChem CID:	409877
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-49.15
Dipole, Da:	5.55
IP(EA), eV:	-8.91(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(dimethylamino)cyclohexyl]amino]cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CN(C)C1CCC(CC1)NC2=CC(=O)C=CC2=O

DOS

IR

Vibrations