Geometry & MOs

Info

ID:	261796
PubChem CID:	103251602
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	2.02
IP(EA), eV:	-9.39(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-cyclohexyloxyethylamino)methyl]pyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(COC1)NCC2=NC=NC=C2C(=O)O

DOS

IR

Vibrations