Geometry & MOs

Info

ID:	189465
PubChem CID:	77861823
Reduced:	O4N6C25H28 (1)
Stoich.:	A4B6C25D28 (1)
Weight, g/mol:	461.169919
ΔH_f, kcal/mol:	-69.44
Dipole, Da:	8.91
IP(EA), eV:	-8.58(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-6-[2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]cyclopropanecarbonyl]-3H-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

C=C1C=C(C=C2C1=NC(=O)N2)C(=O)NCCN3CCC(CC3)N4CCC5=C(C=CC(=C5)O)NC4=O

DOS

IR

Vibrations