Geometry & MOs

Info

ID:	121856
PubChem CID:	50784326
Reduced:	O2N5H25C29 (1)
Stoich.:	A2B5C25D29 (1)
Weight, g/mol:	500.172752
ΔH_f, kcal/mol:	35.46
Dipole, Da:	7.55
IP(EA), eV:	-8.44(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC=C2CCNC(=O)C3=CC=CC(=C3)CN4C5=C(C=CC=N5)N6C=CC=C6C4=O

DOS

IR

Vibrations