Geometry & MOs

Info

ID:	132245
PubChem CID:	51329350
Reduced:	ClN2O4C17H21 (1)
Stoich.:	AB2C4D17E21 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-166.82
Dipole, Da:	3.53
IP(EA), eV:	-9.25(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,4-dimethylbenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Cl)O)C(=O)N3CCOCC3

DOS

IR

Vibrations