Geometry & MOs

Info

ID:	137543
PubChem CID:	52223664
Reduced:	N3O5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	239.107692
ΔH_f, kcal/mol:	-115.6
Dipole, Da:	6.63
IP(EA), eV:	-9.16(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5R)-4-[(4-chlorophenyl)methyl]-2,5-dimethylmorpholine

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C

DOS

IR

Vibrations