Geometry & MOs

Info

ID:	358282
PubChem CID:	127295827
Reduced:	ON6C17H28 (1)
Stoich.:	AB6C17D28 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-18.31
Dipole, Da:	3.33
IP(EA), eV:	-8.85(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyclobutyl(phenyl)methyl]-4-(2-cyclopentylacetyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)C(=O)NCC3=NN=C4N3CCCC4

DOS

IR

Vibrations