Geometry & MOs

Info

ID:	392814
PubChem CID:	135018040
Reduced:	ClION4H10C13 (1)
Stoich.:	ABCD4E10F13 (1)
Weight, g/mol:	299.057388
ΔH_f, kcal/mol:	86.95
Dipole, Da:	4.26
IP(EA), eV:	-9.1(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC(=N3)I)Cl

DOS

IR

Vibrations