Geometry & MOs

Info

ID:	357872
PubChem CID:	127295372
Reduced:	ON5C19H31 (1)
Stoich.:	AB5C19D31 (1)
Weight, g/mol:	385.272927
ΔH_f, kcal/mol:	-28.99
Dipole, Da:	8.94
IP(EA), eV:	-9.3(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(3,4-dimethylphenyl)propanamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)CC3=NN=C4N3CCCC4

DOS

IR

Vibrations