Geometry & MOs

Info

ID:	14628
PubChem CID:	416395
Reduced:	N5C13H13 (1)
Stoich.:	A5B13C13 (1)
Weight, g/mol:	239.117095
ΔH_f, kcal/mol:	92.19
Dipole, Da:	4.93
IP(EA), eV:	-8.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylphenyl)methyl]purin-6-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=NC(=C3C2=NC=N3)N

DOS

IR

Vibrations