Geometry & MOs

Info

ID:	152833
PubChem CID:	56311910
Reduced:	FO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-104.61
Dipole, Da:	2.35
IP(EA), eV:	-8.87(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C)F

DOS

IR

Vibrations