Geometry & MOs

Info

ID:	152137
PubChem CID:	56311002
Reduced:	O3N4C25H32 (1)
Stoich.:	A3B4C25D32 (1)
Weight, g/mol:	473.279075
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	8.82
IP(EA), eV:	-9.06(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(CCC(=O)N)CC3=CC=CC=C3

DOS

IR

Vibrations