Geometry & MOs

Info

ID:	141868
PubChem CID:	52943088
Reduced:	O2C17H20 (1)
Stoich.:	A2B17C20 (1)
Weight, g/mol:	572.283507
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	5.0
IP(EA), eV:	-9.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-8-[5-[(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide

Drug info:

PubChemData

Smile

C=C1[C@@H]([C@@H](OC1=O)C2CCCCC2)C3=CC=CC=C3

DOS

IR

Vibrations