Geometry & MOs

Info

ID:	261412
PubChem CID:	103231852
Reduced:	O2N3C11H17 (1)
Stoich.:	A2B3C11D17 (1)
Weight, g/mol:	275.107005
ΔH_f, kcal/mol:	-62.97
Dipole, Da:	5.92
IP(EA), eV:	-9.09(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-fluorophenyl)ethylamino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CNCC(C(=O)N)N

DOS

IR

Vibrations