Geometry & MOs

Info

ID:	399191
PubChem CID:	135038593
Reduced:	OC14H16 (1)
Stoich.:	AB14C16 (1)
Weight, g/mol:	180.103625
ΔH_f, kcal/mol:	-4.57
Dipole, Da:	2.77
IP(EA), eV:	-9.61(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl benzoate

Drug info:

PubChemData

Smile

CC(=C)C(=O)/C(=C(\C)/C1=CC=CC=C1)/C

DOS

IR

Vibrations