Geometry & MOs

Info

ID:	407422
PubChem CID:	135080077
Reduced:	NOC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	380.13509
ΔH_f, kcal/mol:	28.04
Dipole, Da:	1.89
IP(EA), eV:	-9.08(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-ditert-butyl-4-methylphenyl) 2-bromopent-4-enoate

Drug info:

PubChemData

Smile

CC/C=C\OC1=CC=CC(=C1)C(=NCC2=CC=CC=C2)C

DOS

IR

Vibrations