Geometry & MOs

Info

ID:	343061
PubChem CID:	127266234
Reduced:	ClN4O4C20H25 (1)
Stoich.:	AB4C4D20E25 (1)
Weight, g/mol:	394.140783
ΔH_f, kcal/mol:	-101.92
Dipole, Da:	3.49
IP(EA), eV:	-9.0(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-6-ethoxy-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)C2(CCOCC2)NC(=O)CN3CCOC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations