Geometry & MOs

Info

ID:	369774
PubChem CID:	127335258
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-25.58
Dipole, Da:	3.85
IP(EA), eV:	-8.54(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)C3CCCN3C(=O)C4=CC=CC=C4

DOS

IR

Vibrations