Geometry & MOs

Info

ID:	365529
PubChem CID:	127317977
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	336.252526
ΔH_f, kcal/mol:	-113.32
Dipole, Da:	2.9
IP(EA), eV:	-8.55(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(azepan-1-yl)-3-oxopropyl]-4-cyclobutylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC(C)(C)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations