Geometry & MOs

Info

ID:	386414
PubChem CID:	134981663
Reduced:	NReH3O5C7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	285.03617
ΔH_f, kcal/mol:	51.42
Dipole, Da:	2.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.674876
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-hydroxypent-3-en-2-one;(3E)-3-methylpenta-1,3-diene;rhodium

Drug info:

PubChemData

Smile

CC#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re]

DOS

IR

Vibrations