Geometry & MOs

Info

ID:	173177
PubChem CID:	75606653
Reduced:	ClON6C20H29 (1)
Stoich.:	ABC6D20E29 (1)
Weight, g/mol:	424.177837
ΔH_f, kcal/mol:	-16.25
Dipole, Da:	2.92
IP(EA), eV:	-8.28(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(3-chloroanilino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]-2-phenylethanol

Drug info:

PubChemData

Smile

CC(C)CC(CO)NC1=NC(=C2C(=N1)N(CN2)C(C)C)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations