Geometry & MOs

Info

ID:	382021
PubChem CID:	134972924
Reduced:	O5C12H20 (1)
Stoich.:	A5B12C20 (1)
Weight, g/mol:	136.063663
ΔH_f, kcal/mol:	-234.17
Dipole, Da:	4.95
IP(EA), eV:	-9.97(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-diamino-4-methylidenecyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CC(=O)[C@H](C)[C@H](/C(=C\CO)/C)O

DOS

IR

Vibrations