Geometry & MOs

Info

ID:	368389
PubChem CID:	127328297
Reduced:	FON4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	397.21139
ΔH_f, kcal/mol:	-60.12
Dipole, Da:	0.99
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methyl-2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C=C(N2)C(=O)NC3CCC4=NC(=CN4C3)C(C)(C)C)F

DOS

IR

Vibrations