Geometry & MOs

Info

ID:	329784
PubChem CID:	127246651
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	307.168462
ΔH_f, kcal/mol:	-65.29
Dipole, Da:	1.8
IP(EA), eV:	-8.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CCN(C2)CC(=O)N3CCOCC3)C

DOS

IR

Vibrations