Geometry & MOs

Info

ID:	413644
PubChem CID:	135086593
Reduced:	ClO2C16H21 (1)
Stoich.:	AB2C16D21 (1)
Weight, g/mol:	360.052026
ΔH_f, kcal/mol:	-99.34
Dipole, Da:	2.39
IP(EA), eV:	-9.47(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)C(C)(C)OC(=O)/C(=C/C1=CC=C(C=C1)Cl)/C

DOS

IR

Vibrations