Geometry & MOs

Info

ID:	244027
PubChem CID:	99309417
Reduced:	O3N4C22H30 (1)
Stoich.:	A3B4C22D30 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-101.1
Dipole, Da:	3.36
IP(EA), eV:	-8.98(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclopropyl-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)NC2CCN(CC2)C(=O)CC3=CC(=CC=C3)OC

DOS

IR

Vibrations