Geometry & MOs

Info

ID:	436229
PubChem CID:	135195559
Reduced:	NC6H9 (2)
Stoich.:	AB6C9 (2)
Weight, g/mol:	178.121846
ΔH_f, kcal/mol:	40.23
Dipole, Da:	2.4
IP(EA), eV:	-8.23(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-9-propan-2-yl-4,5-dihydropurine

Drug info:

PubChemData

Smile

CC1=CC2C=CN(C2N=C1C)C(C)C

DOS

IR

Vibrations