Geometry & MOs

Info

ID:	182456
PubChem CID:	76890975
Reduced:	BrON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	294.03678
ΔH_f, kcal/mol:	42.55
Dipole, Da:	6.8
IP(EA), eV:	-9.22(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-bromo-3,3-dimethylbutylidene)-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=C2C=CC3=NC(=O)NC3=C2)Br)C

DOS

IR

Vibrations