Geometry & MOs

Info

ID:	153125
PubChem CID:	56312267
Reduced:	FON4C26H29 (1)
Stoich.:	ABC4D26E29 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	-6.31
Dipole, Da:	5.47
IP(EA), eV:	-8.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NN(C4=C3CCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations