Geometry & MOs

Info

ID:	320435
PubChem CID:	126660963
Reduced:	ON3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	271.14331
ΔH_f, kcal/mol:	29.47
Dipole, Da:	3.99
IP(EA), eV:	-9.9(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C/C1=C(C(=CC(=C1)C#N)C2=CC=NC=C2)C)/C

DOS

IR

Vibrations