Geometry & MOs

Info

ID:	14588
PubChem CID:	415438
Reduced:	ON7C9H13 (1)
Stoich.:	AB7C9D13 (1)
Weight, g/mol:	235.118158
ΔH_f, kcal/mol:	55.82
Dipole, Da:	5.28
IP(EA), eV:	-9.64(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[2-(5H-purin-6-ylamino)ethyl]urea

Drug info:

PubChemData

Smile

CNC(=O)NCCNC1=NC=NC2=NC=NC21

DOS

IR

Vibrations