Geometry & MOs

Info

ID:	65387
PubChem CID:	29214838
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	435.22704
ΔH_f, kcal/mol:	-31.18
Dipole, Da:	7.03
IP(EA), eV:	-9.21(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[7-[[2-(furan-2-yl)phenyl]methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C(=O)NCCC2=NN=C3N2CCN(CC3)CC4=CC=CC=C4C5=CC=CO5

DOS

IR

Vibrations