Geometry & MOs

Info

ID:	369990
PubChem CID:	127337070
Reduced:	SO2N5C18H31 (1)
Stoich.:	AB2C5D18E31 (1)
Weight, g/mol:	386.231791
ΔH_f, kcal/mol:	-69.0
Dipole, Da:	4.92
IP(EA), eV:	-9.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetyl-2,3-dihydroindol-5-yl)-4-(oxan-4-ylmethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)C1=NN=C(S1)NC(=O)N2CCN(CC2)CC3CCOCC3

DOS

IR

Vibrations