Geometry & MOs

Info

ID:	42931
PubChem CID:	10317233
Reduced:	NO3H23C24 (1)
Stoich.:	AB3C23D24 (1)
Weight, g/mol:	373.21139
ΔH_f, kcal/mol:	-45.53
Dipole, Da:	4.17
IP(EA), eV:	-8.74(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(propan-2-ylamino)-3-[2-[6-(2-propan-2-ylidenehydrazinyl)pyridazin-3-yl]oxyphenoxy]propan-2-ol

Drug info:

PubChemData

Smile

CC1(C=CC2=C(O1)C=CC(=C2)C(C3=CC(=CC=C3)OCC4=CC=NC=C4)O)C

DOS

IR

Vibrations