Geometry & MOs

Info

ID:	295118
PubChem CID:	117517957
Reduced:	BrNOF3C14H17 (1)
Stoich.:	ABCD3E14F17 (1)
Weight, g/mol:	351.04456
ΔH_f, kcal/mol:	-178.7
Dipole, Da:	2.23
IP(EA), eV:	-9.23(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[3-bromo-4-methoxy-5-(trifluoromethyl)phenyl]cyclopentyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(F)(F)F)C2(CCCC2)CN)Br

DOS

IR

Vibrations