Geometry & MOs

Info

ID:	176545
PubChem CID:	76064777
Reduced:	N2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	496.247441
ΔH_f, kcal/mol:	5.68
Dipole, Da:	2.8
IP(EA), eV:	-8.45(2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-(2,2-dimethylpropyl)-4-oxo-7-phenyl-5,6,7,7a-tetrahydro-3aH-imidazo[4,5-d]pyridazin-3-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1CN(CC1C2(CC2)N(C)C)C

DOS

IR

Vibrations