Geometry & MOs

Info

ID:	26743
PubChem CID:	797315
Reduced:	OSN2H18C19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	293.152812
ΔH_f, kcal/mol:	37.75
Dipole, Da:	6.82
IP(EA), eV:	-8.34(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-tert-butylbenzimidazol-5-yl)iminomethyl]phenol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=S)NC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations