Geometry & MOs

Info

ID:	353932
PubChem CID:	127285572
Reduced:	SO2N5C19H27 (1)
Stoich.:	AB2C5D19E27 (1)
Weight, g/mol:	384.227374
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	3.02
IP(EA), eV:	-8.65(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(2-pyrrolidin-1-ylpyridin-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCN(CC2)C(=O)NC3=NC4=C(S3)CCCCC4)C

DOS

IR

Vibrations