Geometry & MOs

Info

ID:	138492
PubChem CID:	52373332
Reduced:	FON3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-35.49
Dipole, Da:	2.02
IP(EA), eV:	-8.81(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1[C@H]3CCCCN3C(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations