Geometry & MOs

Info

ID:	132230
PubChem CID:	51326073
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	382.189257
ΔH_f, kcal/mol:	-107.44
Dipole, Da:	3.22
IP(EA), eV:	-8.75(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC2=C(C=C1)OCO2)NC(=O)N3CCC(CC3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations