Geometry & MOs

Info

ID:	354099
PubChem CID:	127286030
Reduced:	N3C8H12 (2)
Stoich.:	A3B8C12 (2)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	98.68
Dipole, Da:	7.11
IP(EA), eV:	-8.78(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(4-ethyl-1,4-diazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN1CCCN(CC1)CCC2=NN=NN2C3=CC=CC=C3

DOS

IR

Vibrations