Geometry & MOs

Info

ID:	373766
PubChem CID:	131319836
Reduced:	ClNOC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	217.091435
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	1.86
IP(EA), eV:	-9.28(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-amino-1-(3,4-difluoro-5-methoxyphenyl)propan-1-ol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)[C@@H]([C@@H](C(C)C)N)O

DOS

IR

Vibrations