Geometry & MOs

Info

ID:	155784
PubChem CID:	56367545
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	406.200491
ΔH_f, kcal/mol:	-84.9
Dipole, Da:	5.42
IP(EA), eV:	-9.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-(furan-2-yl)-2-phenylpyrazole-3-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1CCCN(C1)C(=O)/C=C/C2=CC(=CC=C2)OCC3=CSC(=N3)C

DOS

IR

Vibrations