Geometry & MOs

Info

ID:	142779
PubChem CID:	53090925
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	444.227374
ΔH_f, kcal/mol:	-25.4
Dipole, Da:	9.31
IP(EA), eV:	-8.71(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CNC(=O)C(C)N2C(=O)C3=C(N(N=C3C(=N2)C)C4=CC=CC=C4)C

DOS

IR

Vibrations