Geometry & MOs

Info

ID:	367608
PubChem CID:	127325097
Reduced:	O2N5C18H21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	4.87
Dipole, Da:	3.19
IP(EA), eV:	-9.67(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dihydro-1H-isochromen-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC1C(=O)N2CCC(CC2)NC(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations