Geometry & MOs

Info

ID:	389680
PubChem CID:	134994436
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	187.040006
ΔH_f, kcal/mol:	-31.86
Dipole, Da:	2.24
IP(EA), eV:	-8.53(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(S)-carboxy(phenyl)methyl]azanium;chloride

Drug info:

PubChemData

Smile

CN1C[C@@H](C[C@@H](C1)C2=CC=CC=C2)COC

DOS

IR

Vibrations