Geometry & MOs

Info

ID:	368357
PubChem CID:	127328027
Reduced:	FO3N4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	391.210721
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	5.56
IP(EA), eV:	-9.19(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,4-dioxan-2-ylmethylcarbamoylamino)-2-methoxyphenyl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NC3=C(C=CC(=C3)F)OCC4CCCO4

DOS

IR

Vibrations