Geometry & MOs

Info

ID:	187292
PubChem CID:	77555222
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	406.147501
ΔH_f, kcal/mol:	-119.1
Dipole, Da:	7.81
IP(EA), eV:	-9.58(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1,4-dihydropurin-6-one;7H-purin-6-amine;7H-purine

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C(=O)O)NCC(=O)N2CCCC2C#N

DOS

IR

Vibrations