Geometry & MOs

Info

ID:	139774
PubChem CID:	52593566
Reduced:	N3O3C23H26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	308.188863
ΔH_f, kcal/mol:	-32.27
Dipole, Da:	3.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.996193
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(2,3-dihydro-1H-inden-5-yl)-1-propylurea

Drug info:

PubChemData

Smile

C1CC[NH+](C1)[C@H](CNC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C4=CC=CO4

DOS

IR

Vibrations