Geometry & MOs

Info

ID:	329848
PubChem CID:	127246715
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-40.03
Dipole, Da:	8.81
IP(EA), eV:	-8.94(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1,2-oxazol-3-yl)-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)CCC3=CC(=NO3)OC

DOS

IR

Vibrations