Geometry & MOs

Info

ID:	52489
PubChem CID:	12015367
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	228.089878
ΔH_f, kcal/mol:	-28.92
Dipole, Da:	2.75
IP(EA), eV:	-9.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-1-yl imidazole-1-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OC(=O)N2C=CN=C2

DOS

IR

Vibrations