Geometry & MOs

Info

ID:	145349
PubChem CID:	53505274
Reduced:	OSN5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	14.78
Dipole, Da:	5.43
IP(EA), eV:	-8.98(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethylcarbamoylamino]propyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CN(C)C(=O)NC(C)C2=NN=CN2C

DOS

IR

Vibrations