Geometry & MOs

Info

ID:	403791
PubChem CID:	135061919
Reduced:	ClN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	305.131031
ΔH_f, kcal/mol:	-116.19
Dipole, Da:	4.9
IP(EA), eV:	-9.37(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(4-morpholin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)thiourea

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CN(C2=NC=CC(=C12)Cl)C(=O)OC(C)(C)C

DOS

IR

Vibrations