Geometry & MOs

Info

ID:	147517
PubChem CID:	53787173
Reduced:	INO2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-50.93
Dipole, Da:	1.49
IP(EA), eV:	-8.86(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-[[2-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethyl]amino]butyl]phenyl]formamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CCNI)O)O

DOS

IR

Vibrations