Geometry & MOs

Info

ID:	258956
PubChem CID:	103157544
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	267.163457
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	2.7
IP(EA), eV:	-8.24(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopentyl-3-(4-fluoro-2-methoxyanilino)propan-2-ol

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Br)NCC(CC2CCCC2)O

DOS

IR

Vibrations