Geometry & MOs

Info

ID:	436523
PubChem CID:	135204810
Reduced:	FO3N8H29C30 (1)
Stoich.:	AB3C8D29E30 (1)
Weight, g/mol:	415.141117
ΔH_f, kcal/mol:	10.43
Dipole, Da:	2.83
IP(EA), eV:	-8.48(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[4-chloro-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-3-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CC[C@H](C1)NC2=NNC3=NC=CC(=C32)C4=CC(=C(C=C4)CNC(=O)C5=NOC(=C5)C6=CC=CC=C6)F

DOS

IR

Vibrations