Geometry & MOs

Info

ID:	196175
PubChem CID:	78793440
Reduced:	O3N5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	412.0335
ΔH_f, kcal/mol:	-27.83
Dipole, Da:	6.29
IP(EA), eV:	-8.94(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromo-2-fluorophenyl)methyl]-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)C4=C(N(C(=C4)C)CCOC)C

DOS

IR

Vibrations