Geometry & MOs

Info

ID:	142778
PubChem CID:	53090924
Reduced:	O4N5C25H27 (1)
Stoich.:	A4B5C25D27 (1)
Weight, g/mol:	445.21139
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	8.1
IP(EA), eV:	-8.11(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(4-ethoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C2C(=NN1C3=CC=CC=C3)C(=NN(C2=O)C(C)C(=O)NCC4=C(C=CC(=C4)OC)OC)C

DOS

IR

Vibrations