Geometry & MOs

Info

ID:	398620
PubChem CID:	135034330
Reduced:	O2H20C21 (1)
Stoich.:	A2B20C21 (1)
Weight, g/mol:	174.091889
ΔH_f, kcal/mol:	-43.58
Dipole, Da:	2.22
IP(EA), eV:	-9.1(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC2=C(C=C1)C=C(C=C2)CC3=CC=CC=C3

DOS

IR

Vibrations