Geometry & MOs

Info

ID:	351749
PubChem CID:	127282149
Reduced:	O2N5C19H31 (1)
Stoich.:	A2B5C19D31 (1)
Weight, g/mol:	399.22704
ΔH_f, kcal/mol:	-82.67
Dipole, Da:	5.66
IP(EA), eV:	-8.83(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations