Geometry & MOs

Info

ID:	322238
PubChem CID:	126669489
Reduced:	O2N5H19C21 (1)
Stoich.:	A2B5C19D21 (1)
Weight, g/mol:	341.139386
ΔH_f, kcal/mol:	35.82
Dipole, Da:	6.83
IP(EA), eV:	-8.88(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-[(4-chlorophenyl)methyl]-2-(hydroxymethyl)morpholine-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C3=C(C=CC(=C3)C4=CC=NC=C4)N=C2NC(=O)CN

DOS

IR

Vibrations