Geometry & MOs

Info

ID:	432242
PubChem CID:	135172374
Reduced:	N2O7C33H42 (1)
Stoich.:	A2B7C33D42 (1)
Weight, g/mol:	361.06511
ΔH_f, kcal/mol:	-150.27
Dipole, Da:	4.04
IP(EA), eV:	-8.5(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-[(iodoamino)methyl]phenyl]piperazin-1-yl]ethanol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCCCCOCC2=NOC(=C2)CCC3=CC=C(C=C3)OCCOCCOCC4=NOC(=C4)C

DOS

IR

Vibrations