Geometry & MOs

Info

ID:	417269
PubChem CID:	135091896
Reduced:	FO3N6C17H19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	371.149951
ΔH_f, kcal/mol:	-17.76
Dipole, Da:	3.26
IP(EA), eV:	-9.1(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3R,4S)-N-[2-(4-chlorophenoxy)ethyl]-4-hydroxy-N-(2-hydroxyethyl)-3-methoxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCCN2C=CN=N2)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations