Geometry & MOs

Info

ID:	416721
PubChem CID:	135090174
Reduced:	O3N5C17H19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	425.169919
ΔH_f, kcal/mol:	-9.87
Dipole, Da:	4.63
IP(EA), eV:	-9.38(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-morpholin-4-yl-N-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-phenyl-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C4N=CC(=CN4N=C3)C

DOS

IR

Vibrations