Geometry & MOs

Info

ID:	261515
PubChem CID:	103237554
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-100.28
Dipole, Da:	7.91
IP(EA), eV:	-9.33(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-propylanilino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)CNCC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations