Geometry & MOs

Info

ID:	366544
PubChem CID:	127320060
Reduced:	O3N5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	358.262028
ΔH_f, kcal/mol:	-58.69
Dipole, Da:	0.56
IP(EA), eV:	-8.41(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-(1-hydroxycyclohexyl)acetamide

Drug info:

PubChemData

Smile

CN1C(C(CC1=O)C(=O)NC2=NC=C(C=C2)N3CCOCC3)C4=CN=CC=C4

DOS

IR

Vibrations