Geometry & MOs

Info

ID:	167217
PubChem CID:	74793961
Reduced:	N3O4C18H23 (1)
Stoich.:	A3B4C18D23 (1)
Weight, g/mol:	403.259683
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	6.92
IP(EA), eV:	-8.93(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 3-[(2-methylphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropanoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCN2C3CN(CC3OC2=O)C(=O)NCC=C

DOS

IR

Vibrations