Geometry & MOs

Info

ID:	343576
PubChem CID:	127266749
Reduced:	ClON5C16H22 (1)
Stoich.:	ABC5D16E22 (1)
Weight, g/mol:	315.125073
ΔH_f, kcal/mol:	-17.27
Dipole, Da:	3.21
IP(EA), eV:	-8.81(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1,3,5-trimethyl-N-[(5-methylpyridin-3-yl)methyl]pyrazolo[3,4-b]pyridin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C2=C(N=C1NC3CCCC3C(=O)NC)N(N=C2C)C)Cl

DOS

IR

Vibrations