Geometry & MOs

Info

ID:	136097
PubChem CID:	51978276
Reduced:	ON2F3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	314.118591
ΔH_f, kcal/mol:	-154.11
Dipole, Da:	6.38
IP(EA), eV:	-9.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-6-chloro-2-(phenoxymethyl)benzimidazole

Drug info:

PubChemData

Smile

CC[C@H](C)N1C2=C(C=C(C=C2)C(F)(F)F)N=C1COC3=CC=CC=C3C

DOS

IR

Vibrations