Geometry & MOs

Info

ID:	180864
PubChem CID:	76696887
Reduced:	N4O4C21H34 (1)
Stoich.:	A4B4C21D34 (1)
Weight, g/mol:	421.257671
ΔH_f, kcal/mol:	-157.5
Dipole, Da:	6.98
IP(EA), eV:	-8.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(ethylamino)-N-[[3-hydroxy-1-(3-methoxypropyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide

Drug info:

PubChemData

Smile

CNCCCN1CCC(C(C1)O)CNC(=O)C2=C3C(=CC(=C2)NC)OCCCO3

DOS

IR

Vibrations