Geometry & MOs

Info

ID:	357309
PubChem CID:	127293942
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	392.221226
ΔH_f, kcal/mol:	-112.08
Dipole, Da:	6.11
IP(EA), eV:	-8.49(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)phenyl]-3-oxo-2-phenylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)N4CCNC(=O)C4C5=CC=CC=C5

DOS

IR

Vibrations