Geometry & MOs

Info

ID:	159445
PubChem CID:	57280203
Reduced:	O2N7H19C20 (1)
Stoich.:	A2B7C19D20 (1)
Weight, g/mol:	276.99636
ΔH_f, kcal/mol:	112.68
Dipole, Da:	7.99
IP(EA), eV:	-8.78(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-1-(4-iodophenyl)propan-2-ol

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC2=NC(=NC3=C2C=NN3)NCC4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations