Geometry & MOs

Info

ID:	331331
PubChem CID:	127248738
Reduced:	FON6C24H27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	438.217952
ΔH_f, kcal/mol:	3.47
Dipole, Da:	2.5
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=CC=C1)F)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CN=CN=C4)N(C)C

DOS

IR

Vibrations