Geometry & MOs

Info

ID:

446793

PubChem CID:

135277759

Reduced:

NOH29C40 (1)

Stoich.:

ABC29D40 (1)

Weight, g/mol:

527.25081

ΔHf, kcal/mol:

196.15

Dipole, Da:

1.14

IP(EA), eV:

 -8.07(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl-[(2S)-2-methyl-6-(1-piperidin-4-ylpyrazol-4-yl)-5-[3-(trifluoromethyl)pyridin-2-yl]oxy-3,4-dihydro-2H-quinolin-1-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=C(C5=C(C=C4)C6C=CC=CC6O5)C7=CC8=CC=CC=C8C=C7

DOS

IR

Vibrations