Geometry & MOs

Info

ID:	85147
PubChem CID:	49872081
Reduced:	O2N7C31H33 (1)
Stoich.:	A2B7C31D33 (1)
Weight, g/mol:	483.249507
ΔH_f, kcal/mol:	42.83
Dipole, Da:	4.92
IP(EA), eV:	-8.45(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]-3-(propan-2-ylamino)benzamide

Drug info:

PubChemData

Smile

CC(C)C1=NN(C2=NC=CC(=C12)C3=CC4=CC=CC=C4N=C3)C5=CC(=C(C=C5)C(=O)N)NCCN6CCOCC6

DOS

IR

Vibrations