Geometry & MOs

Info

ID:

170138

PubChem CID:

75202629

Reduced:

ON4F6C30H30 (1)

Stoich.:

AB4C6D30E30 (1)

Weight, g/mol:

631.285813

ΔHf, kcal/mol:

-267.04

Dipole, Da:

2.74

IP(EA), eV:

 -8.72(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[[3,5-bis(trifluoromethyl)phenyl]methyl-[(2-methyltetrazol-5-yl)methyl]amino]methyl]-N,N-bis(cyclopropylmethyl)-8-ethylquinolin-2-amine

Drug info:

PubChemData

Smile

CCN(CC1CCCC1)C2=NC3=CC=CC=C3C=C2CN(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NC=CO5

DOS

IR

Vibrations