Geometry & MOs

Info

ID:	183950
PubChem CID:	77092350
Reduced:	ON3C8H9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	301.15904
ΔH_f, kcal/mol:	-23.88
Dipole, Da:	3.46
IP(EA), eV:	-8.56(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-(methoxymethyl)pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)NCC2=CC3=C(C=C2)N(C(=O)N3C)C)N

DOS

IR

Vibrations