Geometry & MOs

Info

ID:	362131
PubChem CID:	127305813
Reduced:	O2N4C21H26 (1)
Stoich.:	A2B4C21D26 (1)
Weight, g/mol:	317.173942
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	11.85
IP(EA), eV:	-9.3(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)CN4C=CN=C4

DOS

IR

Vibrations