Geometry & MOs

Info

ID:	49232
PubChem CID:	11532136
Reduced:	ClSN3O4C20H20 (1)
Stoich.:	ABC3D4E20F20 (1)
Weight, g/mol:	433.087244
ΔH_f, kcal/mol:	-118.34
Dipole, Da:	1.74
IP(EA), eV:	-8.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-5-(4-fluorophenyl)-1,3-dimethylpyrazolo[4,3-d]pyrimidin-7-amine;hydrochloride

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CC(CC2=O)NC(=O)C3=CC=C(S3)Cl)N4CCOCC4=O

DOS

IR

Vibrations