Geometry & MOs

Info

ID:	261456
PubChem CID:	103234691
Reduced:	NO2C13H25 (1)
Stoich.:	AB2C13D25 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	-129.6
Dipole, Da:	4.55
IP(EA), eV:	-8.93(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(C1C)NCCCCC(=O)O

DOS

IR

Vibrations