Geometry & MOs

Info

ID:	329790
PubChem CID:	127246657
Reduced:	ClFON5C24H25 (1)
Stoich.:	ABCD5E24F25 (1)
Weight, g/mol:	315.174691
ΔH_f, kcal/mol:	-22.18
Dipole, Da:	5.25
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(4-fluoro-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-4,6-dimethylpyrimidine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CN2CCC(CC2)C3=CC(=NC=C3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations