Geometry & MOs

Info

ID:	331326
PubChem CID:	127248733
Reduced:	FON4C27H31 (1)
Stoich.:	ABC4D27E31 (1)
Weight, g/mol:	424.202302
ΔH_f, kcal/mol:	-27.95
Dipole, Da:	4.44
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C)(C)C(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC(=CC=C4)F)N(C)C

DOS

IR

Vibrations