Geometry & MOs

Info

ID:	347400
PubChem CID:	127272249
Reduced:	N3O3C16H21 (1)
Stoich.:	A3B3C16D21 (1)
Weight, g/mol:	361.236542
ΔH_f, kcal/mol:	-116.85
Dipole, Da:	3.82
IP(EA), eV:	-9.48(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(4-methyl-2-morpholin-4-ylpentyl)urea

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CNC(=O)N[C@@H]2[C@@H](CC3=CC=CC=C23)O

DOS

IR

Vibrations