Geometry & MOs

Info

ID:	202996
PubChem CID:	79759391
Reduced:	BrNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	287.149699
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	4.11
IP(EA), eV:	-8.92(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyloxolan-3-yl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(C1CCOC1C)C2=CC(=C(C=C2)OC)Br

DOS

IR

Vibrations