Geometry & MOs

Info

ID:	372174
PubChem CID:	131294105
Reduced:	NO5H19C25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	217.071448
ΔH_f, kcal/mol:	-107.79
Dipole, Da:	3.95
IP(EA), eV:	-8.76(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R)-1-aminoprop-2-enyl]-5-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=C(OC5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations