Geometry & MOs

Info

ID:	261677
PubChem CID:	103244997
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-52.94
Dipole, Da:	7.74
IP(EA), eV:	-9.26(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-imidazol-1-ylbutylamino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C/C(=C/CNCCCCN1C=CN=C1)/C(=O)O

DOS

IR

Vibrations