Geometry & MOs

Info

ID:	261666
PubChem CID:	103244534
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-68.03
Dipole, Da:	4.16
IP(EA), eV:	-9.09(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2-methyl-1-thiophen-2-ylpropyl)amino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C1=CC=CS1)NC2CCC2C(=O)O

DOS

IR

Vibrations