Geometry & MOs

Info

ID:	380053
PubChem CID:	134964552
Reduced:	ClNC9H12 (1)
Stoich.:	ABC9D12 (1)
Weight, g/mol:	222.125594
ΔH_f, kcal/mol:	15.43
Dipole, Da:	4.63
IP(EA), eV:	-7.53(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S)-1-hydroxypentyl]benzoate

Drug info:

PubChemData

Smile

C=C[C@@H](C1=CC=CC=C1)[NH3+].[Cl-]

DOS

IR

Vibrations