Geometry & MOs

Info

ID:	148288
PubChem CID:	53787950
Reduced:	NOC22H27 (1)
Stoich.:	ABC22D27 (1)
Weight, g/mol:	389.137556
ΔH_f, kcal/mol:	-13.05
Dipole, Da:	1.47
IP(EA), eV:	-8.51(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[3-oxo-7-(phenylcarbamoyl)-1,2-dihydroinden-2-yl]-1H-imidazole-2-carboxylate

Drug info:

PubChemData

Smile

CC1(CCCC2=C1C=CC=C2OC)N3CCC(C3)C4=CC=CC=C4

DOS

IR

Vibrations