Geometry & MOs

Info

ID:	332869
PubChem CID:	127251293
Reduced:	O2N6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	447.263425
ΔH_f, kcal/mol:	-31.36
Dipole, Da:	8.65
IP(EA), eV:	-8.65(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-methylphenyl)oxan-4-yl]-[3-[3-(propan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CNC2=NNC3=C2C=CC(=N3)C4CCN(C4)C(=O)CC5(CCCCC5)O

DOS

IR

Vibrations