Geometry & MOs

Info

ID:	178896
PubChem CID:	76398756
Reduced:	ClO3N4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	372.190989
ΔH_f, kcal/mol:	-85.15
Dipole, Da:	2.41
IP(EA), eV:	-9.36(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-oxoazepan-3-yl)amino]-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(CC(C1C2=CC(=CC=C2)Cl)C(=O)NCCC3=CN=CN3)C(=O)O

DOS

IR

Vibrations