Geometry & MOs

Info

ID:	358184
PubChem CID:	127295729
Reduced:	ON6C15H26 (1)
Stoich.:	AB6C15D26 (1)
Weight, g/mol:	362.243024
ΔH_f, kcal/mol:	-12.18
Dipole, Da:	3.19
IP(EA), eV:	-8.87(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-cyclopentylacetyl)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCN1C=NN=C1CNC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations