Geometry & MOs

Info

ID:	222461
PubChem CID:	85300801
Reduced:	O5C19H26 (1)
Stoich.:	A5B19C26 (1)
Weight, g/mol:	338.09666
ΔH_f, kcal/mol:	-199.67
Dipole, Da:	4.8
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

gadolinium;propan-2-ol

Drug info:

PubChemData

Smile

CCC1COC(OC1CC=C(OC)OC(=O)C2=CC=CC=C2)(C)C

DOS

IR

Vibrations