Geometry & MOs

Info

ID:	330491
PubChem CID:	127247898
Reduced:	OF3N4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	321.18009
ΔH_f, kcal/mol:	-176.72
Dipole, Da:	4.8
IP(EA), eV:	-8.92(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]-1,4-diazepane-6-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CN(CCN(C1)C2=NC=C(C=C2)C(F)(F)F)C

DOS

IR

Vibrations