Geometry & MOs

Info

ID:	349429
PubChem CID:	127275216
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	378.197714
ΔH_f, kcal/mol:	14.43
Dipole, Da:	8.5
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(4-phenylazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CCN(C1)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C5=CC=CC=C5

DOS

IR

Vibrations