Geometry & MOs

Info

ID:	367739
PubChem CID:	127325711
Reduced:	SN2O2C19H20 (1)
Stoich.:	AB2C2D19E20 (1)
Weight, g/mol:	370.182733
ΔH_f, kcal/mol:	-22.16
Dipole, Da:	3.58
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(azepan-1-yl)-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(O2)C(=O)NC3(CCC3)C4=NC(=CS4)C)C

DOS

IR

Vibrations