Geometry & MOs

Info

ID:	375220
PubChem CID:	131480934
Reduced:	BrFNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-114.22
Dipole, Da:	4.7
IP(EA), eV:	-9.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminoprop-1-enyl)-6-tert-butyl-4-methylphenol

Drug info:

PubChemData

Smile

CC[C@@](C1=CC(=C(C=C1)F)Br)(C(=O)O)N

DOS

IR

Vibrations