Geometry & MOs

Info

ID:	162843
PubChem CID:	57571131
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	393.164833
ΔH_f, kcal/mol:	-102.3
Dipole, Da:	6.86
IP(EA), eV:	-9.23(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2-[[2-amino-3,5-bis(2-hydroxyethoxy)-4-oxocyclohexa-2,5-dien-1-ylidene]amino]-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)OC2=NC=NC(=C2)NC3=CC(=C(C=C3)C#N)OC

DOS

IR

Vibrations