Geometry & MOs

Info

ID:	336441
PubChem CID:	127255448
Reduced:	CsFCl2N2C27H36 (1)
Stoich.:	ABC2D2E27F36 (1)
Weight, g/mol:	202.087291
ΔH_f, kcal/mol:	-107.94
Dipole, Da:	8.26
IP(EA), eV:	-8.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-3-(4-aminophenyl)propan-1-ol;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)N2C=C[N+](=C2Cl)C3=C(C=CC=C3C(C)C)C(C)C.[F-].[Cl-].[Cs+]

DOS

IR

Vibrations