Geometry & MOs

Info

ID:	329985
PubChem CID:	127246972
Reduced:	O2N5C17H21 (1)
Stoich.:	A2B5C17D21 (1)
Weight, g/mol:	314.185509
ΔH_f, kcal/mol:	-15.75
Dipole, Da:	6.56
IP(EA), eV:	-8.73(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=N1)C(=O)N2CCCC2C3=CN=CC(=N3)NC

DOS

IR

Vibrations