Geometry & MOs

Info

ID:	355326
PubChem CID:	127288303
Reduced:	N3C7H9 (2)
Stoich.:	A3B7C9 (2)
Weight, g/mol:	339.20591
ΔH_f, kcal/mol:	77.78
Dipole, Da:	5.63
IP(EA), eV:	-9.34(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylphenyl)-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propanamide

Drug info:

PubChemData

Smile

C1CCN2C(=NN=C2CN3CCC4=CN=CN=C4C3)C1

DOS

IR

Vibrations