Geometry & MOs

Info

ID:	380082
PubChem CID:	134964904
Reduced:	NOC18H19 (1)
Stoich.:	ABC18D19 (1)
Weight, g/mol:	221.037419
ΔH_f, kcal/mol:	2.63
Dipole, Da:	4.39
IP(EA), eV:	-9.03(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-2-chloro-3-hydroxy-3-phenylpropyl]azanium;chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C/[C@@H](C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations