Geometry & MOs

Info

ID:	355333
PubChem CID:	127288310
Reduced:	ON6C16H20 (1)
Stoich.:	AB6C16D20 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	45.54
Dipole, Da:	6.97
IP(EA), eV:	-8.83(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-6-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NCC2=CN=CC=C2)C3=NN=CC=C3

DOS

IR

Vibrations