Geometry & MOs

Info

ID:	175820
PubChem CID:	75952464
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	384.252526
ΔH_f, kcal/mol:	-28.68
Dipole, Da:	5.9
IP(EA), eV:	-9.2(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyrazolidin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1CN(CCC1CCCCNC(=O)C=CC2=CN=C(N=C2)N)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations