Geometry & MOs

Info

ID:	189459
PubChem CID:	77860776
Reduced:	ClO4C18H21 (1)
Stoich.:	AB4C18D21 (1)
Weight, g/mol:	418.153846
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	7.06
IP(EA), eV:	-9.0(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-hydroxyphenyl)propanamide;4-(2,3-diaminopropyl)phenol;dihydrochloride

Drug info:

PubChemData

Smile

C1COC2(O1)CC3C2CC(C3O)C(=CCC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations