Geometry & MOs

Info

ID:	429282
PubChem CID:	135169195
Reduced:	FO3N8C33H33 (1)
Stoich.:	AB3C8D33E33 (1)
Weight, g/mol:	229.186421
ΔH_f, kcal/mol:	-34.38
Dipole, Da:	3.17
IP(EA), eV:	-8.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-tert-butylsulfanyl-1-cyclohexylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/N=C/C1CCCN(C1)C2=C3C=C(C=C(C3=NC=C2)F)C4=CNC5=C4C=C(C=N5)C(=O)NCC6=CN=CN=C6

DOS

IR

Vibrations