Geometry & MOs

Info

ID:	190618
PubChem CID:	78032051
Reduced:	NO3C14H25 (1)
Stoich.:	AB3C14D25 (1)
Weight, g/mol:	258.068766
ΔH_f, kcal/mol:	-83.19
Dipole, Da:	6.43
IP(EA), eV:	-9.46(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methylthiophen-2-yl)methylideneamino]-7H-purin-6-amine

Drug info:

PubChemData

Smile

CCCCCC12CCC(N1C)CC(C2C(=O)O)O

DOS

IR

Vibrations