Geometry & MOs

Info

ID:	136163
PubChem CID:	51988821
Reduced:	ClNO4H22C23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	397.144471
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	29.89
IP(EA), eV:	-7.78(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-2-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1-phenylethanol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC(=CC=C2)Cl)C[NH2+]CC3=CC=C(C=C3)C(=O)[O-]

DOS

IR

Vibrations