Geometry & MOs

Info

ID:

327844

PubChem CID:

126691151

Reduced:

NOSH35C46 (1)

Stoich.:

ABCD35E46 (1)

Weight, g/mol:

413.185175

ΔHf, kcal/mol:

151.96

Dipole, Da:

1.27

IP(EA), eV:

 -7.75(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C/C=C\C1=C(C2=C(C1(C)C)C=C(C=C2)N(C3=CC=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56)C7=CC8=C(C=C7)SC9=CC=CC=C98)C=C

DOS

IR

Vibrations