Geometry & MOs

Info

ID:	426103
PubChem CID:	135137870
Reduced:	ClO7N8C33H45 (1)
Stoich.:	AB7C8D33E45 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-256.83
Dipole, Da:	7.06
IP(EA), eV:	-8.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOCCN(C)C(=O)C1CCN(CC1)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)C(=C4)OCC(=O)NC)C)Cl

DOS

IR

Vibrations