Geometry & MOs

Info

ID:	354585
PubChem CID:	127287199
Reduced:	ON5C13H21 (1)
Stoich.:	AB5C13D21 (1)
Weight, g/mol:	387.20591
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	4.66
IP(EA), eV:	-9.42(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(9H-fluoren-2-yl)-3-[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

C[C@H](C1=NN=C2N1CCCCC2)NC(=O)N3CCC3

DOS

IR

Vibrations