Geometry & MOs

Info

ID:	416946
PubChem CID:	135090891
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-79.61
Dipole, Da:	6.05
IP(EA), eV:	-9.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-3-hydroxy-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)C(=O)C4CCOC4

DOS

IR

Vibrations