Geometry & MOs

Info

ID:	143786
PubChem CID:	53260864
Reduced:	N3O5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	421.226646
ΔH_f, kcal/mol:	-131.94
Dipole, Da:	7.16
IP(EA), eV:	-9.42(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-(1-aminocyclobutyl)phenyl]-N-methyl-8-phenyl-4,5-dihydro-1H-pyrazolo[3,4-f]quinolin-3-amine

Drug info:

PubChemData

Smile

CC1=C[C@@]23CCC[C@@]4([C@H]2[C@@H](CCC4)O[C@@H]1N(N3C(=O)OCC=C)C(=O)OCC=C)C#N

DOS

IR

Vibrations