Geometry & MOs

Info

ID:	190742
PubChem CID:	78050320
Reduced:	N7O10C22H43 (1)
Stoich.:	A7B10C22D43 (1)
Weight, g/mol:	528.207193
ΔH_f, kcal/mol:	-436.46
Dipole, Da:	6.25
IP(EA), eV:	-8.97(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-chloro-1-methylindazol-3-yl)-N-(1-hydroxybutan-2-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)N)O)NC(=O)C4(CNNC4)O)N)N

DOS

IR

Vibrations