Geometry & MOs

Info

ID:	143594
PubChem CID:	53232433
Reduced:	O8N11C22H43 (1)
Stoich.:	A8B11C22D43 (1)
Weight, g/mol:	273.042225
ΔH_f, kcal/mol:	-355.59
Dipole, Da:	7.46
IP(EA), eV:	-9.38(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

9-[(Z)-4-aminobut-2-enyl]-6-chloropurin-2-amine;chloride

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N)O

DOS

IR

Vibrations