Geometry & MOs

Info

ID:	295117
PubChem CID:	117517921
Reduced:	BrNO4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	351.04456
ΔH_f, kcal/mol:	-104.33
Dipole, Da:	4.12
IP(EA), eV:	-9.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-bromo-4-methoxy-2-(trifluoromethyl)phenyl]cyclopentyl]methanamine

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC(=C(C3=C2OCCO3)C=O)Br)N=C=O

DOS

IR

Vibrations