Geometry & MOs

Info

ID:	433343
PubChem CID:	135173480
Reduced:	SF2O6N7H45C46 (1)
Stoich.:	AB2C6D7E45F46 (1)
Weight, g/mol:	217.179027
ΔH_f, kcal/mol:	-212.34
Dipole, Da:	4.17
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-[3-(4-methylpiperazin-1-yl)propoxy]ethanol

Drug info:

PubChemData

Smile

CCCC(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)OCCCC(=O)NCC(=O)N5CCC[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)F

DOS

IR

Vibrations