Geometry & MOs

Info

ID:	349427
PubChem CID:	127275214
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	59.55
Dipole, Da:	4.36
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-phenylazepan-1-yl)propanamide

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N3C1=NN=C3CN4CCCC(CC4)C5=CC=CC=C5

DOS

IR

Vibrations