Geometry & MOs

Info

ID:	358221
PubChem CID:	127295766
Reduced:	ON5C18H29 (1)
Stoich.:	AB5C18D29 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	-26.98
Dipole, Da:	4.55
IP(EA), eV:	-8.76(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(CCC2)NC(=O)N3CCC(C3)N4CCCCC4

DOS

IR

Vibrations