Geometry & MOs

Info

ID:	245628
PubChem CID:	99455647
Reduced:	IN3O3C18H26 (1)
Stoich.:	AB3C3D18E26 (1)
Weight, g/mol:	393.205242
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	2.77
IP(EA), eV:	-8.81(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)CNC(=O)C2=CC=CC=C2I

DOS

IR

Vibrations