Geometry & MOs

Info

ID:	349256
PubChem CID:	127274982
Reduced:	OSN4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	369.125946
ΔH_f, kcal/mol:	20.84
Dipole, Da:	5.59
IP(EA), eV:	-8.4(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(1,3-thiazol-4-ylmethyl)-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N4CCCN(CC4)CC5=CSC=N5

DOS

IR

Vibrations