Geometry & MOs

Info

ID:	216183
PubChem CID:	85085851
Reduced:	NOC16H17 (1)
Stoich.:	ABC16D17 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	18.05
Dipole, Da:	1.85
IP(EA), eV:	-9.15(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1,3-dibutyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCOCN=CC1=CC=C(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations