Geometry & MOs

Info

ID:	217127
PubChem CID:	85087296
Reduced:	O3C21H34 (1)
Stoich.:	A3B21C34 (1)
Weight, g/mol:	334.119654
ΔH_f, kcal/mol:	-184.7
Dipole, Da:	1.0
IP(EA), eV:	-9.44(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-phenylmethoxycyclopentan-1-ol

Drug info:

PubChemData

Smile

CCC1(C=C2CCC3C(C2CC1O)(CCCC3(C)C(=O)OC)C)C

DOS

IR

Vibrations