Geometry & MOs

Info

ID:	216297
PubChem CID:	85086011
Reduced:	O2N5C11H16 (1)
Stoich.:	A2B5C11D16 (1)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	-26.91
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799618
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclohexylamino)-6-ethoxyhexa-1,5-diene-3,4-dione

Drug info:

PubChemData

Smile

CCC(CC1=NC2=[N+](C(=O)N(C(=O)C2=N1)C)C)N

DOS

IR

Vibrations