Geometry & MOs

Info

ID:	331996
PubChem CID:	127250282
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-85.13
Dipole, Da:	3.66
IP(EA), eV:	-9.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-(2-cyclohexylacetyl)morpholin-2-yl]pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)C(=O)N1CCOC(C1)C2=NC=C(C=C2)C3=CC(=CC=C3)C(=O)N

DOS

IR

Vibrations