Geometry & MOs

Info

ID:	151918
PubChem CID:	56310744
Reduced:	O2N5C27H33 (1)
Stoich.:	A2B5C27D33 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-15.07
Dipole, Da:	6.61
IP(EA), eV:	-8.67(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-3-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCC(=O)NC3=C(N(N=C3C)C4=CC=CC=C4)C

DOS

IR

Vibrations