Geometry & MOs

Info

ID:	306305
PubChem CID:	125003689
Reduced:	ClO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	522.276154
ΔH_f, kcal/mol:	-93.73
Dipole, Da:	4.46
IP(EA), eV:	-9.24(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-[(3S)-3-[(4-chloro-3-methylphenoxy)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN2CCO[C@@](C2)(CC(=O)N)COC3=CC(=CC=C3)Cl

DOS

IR

Vibrations