Geometry & MOs

Info

ID:	423507
PubChem CID:	135119629
Reduced:	FO2N5C18H28 (1)
Stoich.:	AB2C5D18E28 (1)
Weight, g/mol:	323.155515
ΔH_f, kcal/mol:	-91.42
Dipole, Da:	1.88
IP(EA), eV:	-8.69(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-cyclopropyl-4-hydroxy-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=C(C(=N3)N4CCOCC4)F)CO

DOS

IR

Vibrations