Geometry & MOs

Info

ID:	151762
PubChem CID:	56310532
Reduced:	N2O2C23H26 (1)
Stoich.:	A2B2C23D26 (1)
Weight, g/mol:	432.252526
ΔH_f, kcal/mol:	-21.53
Dipole, Da:	5.31
IP(EA), eV:	-8.52(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations