Geometry & MOs

Info

ID:	172374
PubChem CID:	75500646
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	338.166414
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	3.81
IP(EA), eV:	-9.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-1-ethyl-1-(2-methylsulfonylethyl)urea

Drug info:

PubChemData

Smile

CC(CC(=O)NCC1=CC=C(C=C1)C(=O)NC)(C2=CC=CC=C2)O

DOS

IR

Vibrations