Geometry & MOs

Info

ID:	294383
PubChem CID:	117455443
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-14.04
Dipole, Da:	3.99
IP(EA), eV:	-8.63(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-isocyanatocyclopentyl)-2-methyl-1-propan-2-ylbenzimidazole

Drug info:

PubChemData

Smile

CC(C)N1C=CN(C1=O)C2=CC=CC(=C2)C3(CC3)N=C=O

DOS

IR

Vibrations