Geometry & MOs

Info

ID:	85118
PubChem CID:	49871893
Reduced:	ON3C15H15 (2)
Stoich.:	AB3C15D15 (2)
Weight, g/mol:	520.258674
ΔH_f, kcal/mol:	21.42
Dipole, Da:	5.29
IP(EA), eV:	-8.47(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-quinolin-3-ylpyrazolo[4,3-c]pyridin-1-yl)benzamide

Drug info:

PubChemData

Smile

CCC1=NN(C2=NC=CC(=C12)C3=CC4=CC=CC=C4N=C3)C5=CC(=C(C=C5)C(=O)N)NC6CCC(CC6)O

DOS

IR

Vibrations