Geometry & MOs

Info

ID:	329711
PubChem CID:	127246578
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	311.163377
ΔH_f, kcal/mol:	-50.31
Dipole, Da:	6.14
IP(EA), eV:	-8.95(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenoxypropan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)C2CCN(C2)C(=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations