Geometry & MOs

Info

ID:	136197
PubChem CID:	51995922
Reduced:	ClNOC19H24 (1)
Stoich.:	ABCD19E24 (1)
Weight, g/mol:	318.162467
ΔH_f, kcal/mol:	-26.84
Dipole, Da:	5.09
IP(EA), eV:	-8.74(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(2S)-butan-2-yl]-[[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC[C@@H](C)NCC1=C(C=CC(=C1)Cl)OCC2=CC=CC(=C2)C

DOS

IR

Vibrations