Geometry & MOs

Info

ID:	355367
PubChem CID:	127288363
Reduced:	ON6C18H20 (1)
Stoich.:	AB6C18D20 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	65.68
Dipole, Da:	5.45
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-oxoethyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCN(CC2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations