Geometry & MOs

Info

ID:	195596
PubChem CID:	78707815
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	2.59
IP(EA), eV:	-8.78(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)C(C1=CC=CC=C1)NCC2=CC=C(C=C2)OC

DOS

IR

Vibrations