Geometry & MOs

Info

ID:	445166
PubChem CID:	135264761
Reduced:	O3C12H20 (1)
Stoich.:	A3B12C20 (1)
Weight, g/mol:	407.242021
ΔH_f, kcal/mol:	-145.36
Dipole, Da:	6.19
IP(EA), eV:	-10.46(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1,3-di(cycloheptyl)-6-hydroxy-2-oxo-4H-pyrimidine-5-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCC(C)(CC)C(=O)C(=C)CC(=O)O

DOS

IR

Vibrations