Geometry & MOs

Info

ID:	361265
PubChem CID:	127302446
Reduced:	N2O2C9H15 (2)
Stoich.:	A2B2C9D15 (2)
Weight, g/mol:	395.0593
ΔH_f, kcal/mol:	-199.7
Dipole, Da:	3.12
IP(EA), eV:	-8.95(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)CN3CCC(=O)NC3=O

DOS

IR

Vibrations