Geometry & MOs

Info

ID:	198096
PubChem CID:	79045532
Reduced:	BrNOSC14H20 (1)
Stoich.:	ABCDE14F20 (1)
Weight, g/mol:	293.215493
ΔH_f, kcal/mol:	-26.1
Dipole, Da:	4.24
IP(EA), eV:	-8.62(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluoro-5-methylanilino)-4-propylcycloheptyl]methanol

Drug info:

PubChemData

Smile

CC(C)(C(=O)CC1=C(C=CS1)Br)N2CCCCC2

DOS

IR

Vibrations