Geometry & MOs

Info

ID:	186383
PubChem CID:	77425950
Reduced:	O2N3C21H23 (1)
Stoich.:	A2B3C21D23 (1)
Weight, g/mol:	457.236542
ΔH_f, kcal/mol:	5.43
Dipole, Da:	4.06
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[4-(cyclohexa-1,3-dien-1-ylmethoxy)cyclohexa-1,3-dien-1-yl]-1,3-benzoxazol-6-yl]-4-methyl-5-propyl-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

CCC(C(C)C(=O)NN)C(=C)C1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations