Geometry & MOs

Info

ID:	353925
PubChem CID:	127285565
Reduced:	ON5C14H23 (1)
Stoich.:	AB5C14D23 (1)
Weight, g/mol:	251.17461
ΔH_f, kcal/mol:	-28.72
Dipole, Da:	4.53
IP(EA), eV:	-9.44(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-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)N3CCCC3

DOS

IR

Vibrations