Geometry & MOs

Info

ID:	299470
PubChem CID:	117683144
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	465.27399
ΔH_f, kcal/mol:	-131.91
Dipole, Da:	7.23
IP(EA), eV:	-8.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]benzamide

Drug info:

PubChemData

Smile

COCCCOC1=CC=C(C=C1)C(=O)NCC(CN2CCC3=CC=CC=C3C2)O

DOS

IR

Vibrations