Geometry & MOs

Info

ID:	164447
PubChem CID:	74401075
Reduced:	NO7C25H27 (1)
Stoich.:	AB7C25D27 (1)
Weight, g/mol:	376.258674
ΔH_f, kcal/mol:	-206.07
Dipole, Da:	4.26
IP(EA), eV:	-8.82(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-[4-(2-methylpropyl)-6-(3-propan-2-ylpiperazine-1-carbonyl)pyridazin-3-yl]urea

Drug info:

PubChemData

Smile

CN(C)C(=O)CC(C(=O)C=CC1=CC(=C(C=C1)O)OC)C(=O)C=CC2=CC(=C(C=C2)O)OC

DOS

IR

Vibrations