Geometry & MOs

Info

ID:	357913
PubChem CID:	127295413
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	392.278741
ΔH_f, kcal/mol:	-41.55
Dipole, Da:	6.38
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)N3CCCN(CC3)C(=O)CC4CCCC4

DOS

IR

Vibrations