Geometry & MOs

Info

ID:	354341
PubChem CID:	127286467
Reduced:	ON6C18H30 (1)
Stoich.:	AB6C18D30 (1)
Weight, g/mol:	320.196074
ΔH_f, kcal/mol:	-27.94
Dipole, Da:	5.29
IP(EA), eV:	-8.93(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)CCNC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations