Geometry & MOs

Info

ID:	354672
PubChem CID:	127287290
Reduced:	ClN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	338.231791
ΔH_f, kcal/mol:	-123.81
Dipole, Da:	6.4
IP(EA), eV:	-8.44(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methylmorpholin-2-yl)methyl]-4-(pyrrolidine-1-carbonyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCOC(C1)CNC(=O)NC2=CC(=C(C=C2)OC3CCCC3)Cl

DOS

IR

Vibrations