Geometry & MOs

Info

ID:	159595
PubChem CID:	57288510
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	324.20893
ΔH_f, kcal/mol:	19.05
Dipole, Da:	0.22
IP(EA), eV:	-8.66(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-butyl-2-tert-butylbenzoate

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=CC=CN2

DOS

IR

Vibrations