Geometry & MOs

Info

ID:	267940
PubChem CID:	103590514
Reduced:	FON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	252.163791
ΔH_f, kcal/mol:	-94.97
Dipole, Da:	3.39
IP(EA), eV:	-8.06(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-amino-4-fluoro-5-methylanilino)methyl]cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)N)NCC2CCCC2O

DOS

IR

Vibrations