Geometry & MOs

Info

ID:	364251
PubChem CID:	127314555
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	331.225977
ΔH_f, kcal/mol:	-28.43
Dipole, Da:	6.82
IP(EA), eV:	-9.82(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)NC3CCC4=NC=NN4C3

DOS

IR

Vibrations