Geometry & MOs

Info

ID:	329799
PubChem CID:	127246666
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	-32.2
Dipole, Da:	3.08
IP(EA), eV:	-8.43(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC3=CC4=C(C=C3)OCCO4)C

DOS

IR

Vibrations