Geometry & MOs

Info

ID:	365372
PubChem CID:	127317771
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	379.166269
ΔH_f, kcal/mol:	-70.78
Dipole, Da:	4.44
IP(EA), eV:	-8.91(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-cyclobutylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)N3CCN(CC3)C4CCC4

DOS

IR

Vibrations