Geometry & MOs

Info

ID:	286630
PubChem CID:	104179548
Reduced:	FNO2C16H24 (1)
Stoich.:	ABC2D16E24 (1)
Weight, g/mol:	289.186421
ΔH_f, kcal/mol:	-123.23
Dipole, Da:	2.18
IP(EA), eV:	-8.92(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-methylphenyl)cyclobutyl]-3-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(CCOC)(CNC1CC(C1)C2=CC=CC=C2F)O

DOS

IR

Vibrations