Geometry & MOs

Info

ID:	347452
PubChem CID:	127272301
Reduced:	OSN5C14H19 (1)
Stoich.:	ABC5D14E19 (1)
Weight, g/mol:	384.184921
ΔH_f, kcal/mol:	25.49
Dipole, Da:	2.99
IP(EA), eV:	-9.17(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CNC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations