Geometry & MOs

Info

ID:	261910
PubChem CID:	103258695
Reduced:	FNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	275.107005
ΔH_f, kcal/mol:	-138.51
Dipole, Da:	3.57
IP(EA), eV:	-9.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)N[C@H](C)C1=CC(=CC=C1)F

DOS

IR

Vibrations