Geometry & MOs

Info

ID:	177434
PubChem CID:	76185272
Reduced:	O3C28H46 (1)
Stoich.:	A3B28C46 (1)
Weight, g/mol:	394.12772
ΔH_f, kcal/mol:	-199.18
Dipole, Da:	6.95
IP(EA), eV:	-9.26(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methylideneamino]-4-hydroxy-6-oxo-1-phenylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1(C(CCC1C(C)CCCC(C)C)C2CCC3C(=CC=C(C3(C2)C)O)C(=O)O)C

DOS

IR

Vibrations