Geometry & MOs

Info

ID:	171879
PubChem CID:	75436434
Reduced:	ON6C18H22 (1)
Stoich.:	AB6C18D22 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	71.45
Dipole, Da:	5.37
IP(EA), eV:	-8.56(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4,5-dimethylpyrimidin-2-yl)amino]-1-methylcyclopentyl]methanol

Drug info:

PubChemData

Smile

CC1CN(CCCN1C2=NN3C(=NNC3=O)C=C2)CC4=CC=CC=C4

DOS

IR

Vibrations