Geometry & MOs

Info

ID:	357897
PubChem CID:	127295397
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	357.241627
ΔH_f, kcal/mol:	-26.21
Dipole, Da:	6.55
IP(EA), eV:	-9.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NN=C(O1)C2=CC=CS2)N3CCCN(CC3)C(=O)CC4CCCC4

DOS

IR

Vibrations