Geometry & MOs

Info

ID:	369384
PubChem CID:	127332934
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	394.175339
ΔH_f, kcal/mol:	-30.65
Dipole, Da:	3.84
IP(EA), eV:	-8.78(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carbonyl]-2H-phthalazin-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C(=O)N1)C(=O)N2CCCN(CC2)CC3=NOC(=N3)C4CC4

DOS

IR

Vibrations