Geometry & MOs

Info

ID:	262029
PubChem CID:	103266846
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	235.132077
ΔH_f, kcal/mol:	-96.19
Dipole, Da:	6.13
IP(EA), eV:	-8.26(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-methylcyclopentyl)amino]methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CCS(=O)CCNCC1=CC=CC=C1C(=O)O

DOS

IR

Vibrations