Geometry & MOs

Info

ID:	123084
PubChem CID:	50832259
Reduced:	O2N4C23H24 (1)
Stoich.:	A2B4C23D24 (1)
Weight, g/mol:	400.189926
ΔH_f, kcal/mol:	2.82
Dipole, Da:	6.5
IP(EA), eV:	-8.76(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-6-pyrrolidin-1-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)N3C(=O)C=CC(=N3)N4CCCC4

DOS

IR

Vibrations