Geometry & MOs

Info

ID:	150014
PubChem CID:	53789698
Reduced:	ClN4O5C29H41 (1)
Stoich.:	AB4C5D29E41 (1)
Weight, g/mol:	165.053826
ΔH_f, kcal/mol:	-219.23
Dipole, Da:	4.84
IP(EA), eV:	-9.48(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-1H-imidazo[1,2-c]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CCN(C(C)C)C(=O)C1=CC(=CC(=C1)Cl)OCCN(C2=CC=NC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations