Geometry & MOs

Info

ID:	331327
PubChem CID:	127248734
Reduced:	FO2N6C22H25 (1)
Stoich.:	AB2C6D22E25 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-19.93
Dipole, Da:	4.66
IP(EA), eV:	-8.98(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)N2CCC(C2)C3=NC(=NC=C3C4=CC=C(C=C4)F)N(C)C

DOS

IR

Vibrations