Geometry & MOs

Info

ID:	28876
PubChem CID:	830192
Reduced:	ClN5C16H18 (1)
Stoich.:	AB5C16D18 (1)
Weight, g/mol:	280.157563
ΔH_f, kcal/mol:	70.24
Dipole, Da:	3.89
IP(EA), eV:	-8.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methoxyphenyl)methyl]-2-propan-2-ylbenzimidazole

Drug info:

PubChemData

Smile

CC[C@H](C)NC1=C2C=NN(C2=NC=N1)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations