Geometry & MOs

Info

ID:	369176
PubChem CID:	127331478
Reduced:	O2N3C20H27 (1)
Stoich.:	A2B3C20D27 (1)
Weight, g/mol:	383.220892
ΔH_f, kcal/mol:	-44.33
Dipole, Da:	5.15
IP(EA), eV:	-9.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=CN(N=C2)C3=CC=CC=C3

DOS

IR

Vibrations