Geometry & MOs

Info

ID:	172318
PubChem CID:	75497022
Reduced:	N2O3C18H26 (1)
Stoich.:	A2B3C18D26 (1)
Weight, g/mol:	302.163043
ΔH_f, kcal/mol:	-122.65
Dipole, Da:	2.76
IP(EA), eV:	-8.8(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-4-[(4-but-3-ynoxyphenyl)methyl]-6-methylmorpholine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(O1)C(=O)N)CC2=CC(=CC=C2)OC3CCCC3

DOS

IR

Vibrations