Geometry & MOs

Info

ID:	242967
PubChem CID:	99214599
Reduced:	SO3N4C24H38 (1)
Stoich.:	AB3C4D24E38 (1)
Weight, g/mol:	475.294725
ΔH_f, kcal/mol:	-113.26
Dipole, Da:	3.44
IP(EA), eV:	-8.14(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=CC=C2)N3CCN(CC3)CC4CC4

DOS

IR

Vibrations