Geometry & MOs

Info

ID:	293938
PubChem CID:	117418272
Reduced:	ClNF2O3C10H10 (1)
Stoich.:	ABC2D3E10F10 (1)
Weight, g/mol:	265.048126
ΔH_f, kcal/mol:	-195.53
Dipole, Da:	4.78
IP(EA), eV:	-9.61(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-aminocyclopropyl)methyl]-6-chloro-4-(trifluoromethyl)phenol

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1F)Cl)C(CN)C(=O)O)F

DOS

IR

Vibrations