Geometry & MOs

Info

ID:	330010
PubChem CID:	127246997
Reduced:	O2N5C16H21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	315.169525
ΔH_f, kcal/mol:	4.56
Dipole, Da:	5.81
IP(EA), eV:	-8.81(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1C(=O)N2CCCC2C3=CN=CC(=N3)NC)C

DOS

IR

Vibrations