Geometry & MOs

Info

ID:	357902
PubChem CID:	127295402
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	397.272927
ΔH_f, kcal/mol:	-82.44
Dipole, Da:	3.13
IP(EA), eV:	-8.59(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-cyclopentylacetyl)-1,4-diazepan-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)C(=O)CC3CCCC3

DOS

IR

Vibrations