Geometry & MOs

Info

ID:	168130
PubChem CID:	74928238
Reduced:	ClN3O4C27H30 (1)
Stoich.:	AB3C4D27E30 (1)
Weight, g/mol:	457.176834
ΔH_f, kcal/mol:	-123.59
Dipole, Da:	7.46
IP(EA), eV:	-8.55(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-2-pyridin-2-ylacetamide;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CC(=O)NC3=CC=C(C=C3)CCNCC(COC4=CC=C(C=C4)O)O.Cl

DOS

IR

Vibrations