Geometry & MOs

Info

ID:	347381
PubChem CID:	127272230
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-134.21
Dipole, Da:	3.43
IP(EA), eV:	-8.31(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(azepan-1-yl)phenyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

C1CCC2(CC1)OC3=C(O2)C=C(C=C3)NC(=O)N[C@@H]4[C@@H](CC5=CC=CC=C45)O

DOS

IR

Vibrations