Geometry & MOs

Info

ID:	3462
PubChem CID:	9689
Reduced:	ON2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	236.094963
ΔH_f, kcal/mol:	57.7
Dipole, Da:	6.58
IP(EA), eV:	-8.96(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylcyclohepta[d]imidazol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=CC3=NC2=O

DOS

IR

Vibrations