Geometry & MOs

Info

ID:	249763
PubChem CID:	103091926
Reduced:	ClFNC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	-37.47
Dipole, Da:	1.88
IP(EA), eV:	-9.41(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-2-methylbut-1-enyl)-2,6-ditert-butylphenol

Drug info:

PubChemData

Smile

CC(/C(=C/C1=CC(=C(C=C1)Cl)F)/C)N

DOS

IR

Vibrations