Geometry & MOs

Info

ID:	422500
PubChem CID:	135117936
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-96.33
Dipole, Da:	1.31
IP(EA), eV:	-9.44(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-4-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N(C)[C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C3=CC=CC=C3

DOS

IR

Vibrations