Geometry & MOs

Info

ID:	315040
PubChem CID:	126624258
Reduced:	OC10H18 (2)
Stoich.:	AB10C18 (2)
Weight, g/mol:	583.290703
ΔH_f, kcal/mol:	-119.09
Dipole, Da:	1.55
IP(EA), eV:	-9.19(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[(3R)-1-[(E)-4-(dimethylamino)but-2-enoyl]pyrrolidin-3-yl]amino]-1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]oxy-5-methylbenzamide

Drug info:

PubChemData

Smile

CCCCCCCC(C)(CCCCC)COCC1=CC=CO1

DOS

IR

Vibrations