Geometry & MOs

Info

ID:	371172
PubChem CID:	127343992
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-119.21
Dipole, Da:	4.67
IP(EA), eV:	-8.66(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC2=C(C=C1)OCCO2)NC(=O)N3CCCC(CC3)N4CCCC4

DOS

IR

Vibrations