Geometry & MOs

Info

ID:	174545
PubChem CID:	75781825
Reduced:	SN3O3H25C27 (1)
Stoich.:	AB3C3D25E27 (1)
Weight, g/mol:	416.18667
ΔH_f, kcal/mol:	0.2
Dipole, Da:	6.91
IP(EA), eV:	-8.42(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)-2-(diethylamino)ethyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=C(SC4=C3CCCC4)NC(=O)C=CC5=CC=C(C=C5)OC

DOS

IR

Vibrations