Geometry & MOs

Info

ID:	370764
PubChem CID:	127340544
Reduced:	O2N4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-5.23
Dipole, Da:	6.56
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=NC=N1)N2CCCC(C2)NC(=O)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations