Geometry & MOs

Info

ID:	346124
PubChem CID:	127270612
Reduced:	ON2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-72.88
Dipole, Da:	7.64
IP(EA), eV:	-8.98(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-acetylpiperazin-1-yl)phenyl]methyl]-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)NCC(=O)NC2=CN=CC=C2

DOS

IR

Vibrations