Geometry & MOs

Info

ID:	129854
PubChem CID:	51074063
Reduced:	N2O3C19H20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	340.164774
ΔH_f, kcal/mol:	-51.52
Dipole, Da:	7.53
IP(EA), eV:	-9.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-6-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-4,5-dihydropyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)/C=C/C(=O)NCC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations