Geometry & MOs

Info

ID:	331328
PubChem CID:	127248735
Reduced:	O3N6C23H28 (1)
Stoich.:	A3B6C23D28 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	-13.59
Dipole, Da:	5.31
IP(EA), eV:	-8.86(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(dimethylamino)-5-(4-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(=CC=C4)OC)N(C)C

DOS

IR

Vibrations